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===MPI Libraries for parallel jobs on zcluster===
[[Category:Sapelo2]][[Category:Teaching]]


There are several MPI libraries available on zcluster:
==MPI Libraries for parallel jobs on Sapelo2==


====MPICH====
All compute nodes on Sapelo2 have Infiniband (IB) interconnect via '''EDR''' Infiniband network (100Gbps). Various IB-enabled MPI libraries are available and users can set the environment variables for the MPI library of choice by loading the corresponding module file.
<!-- Some of the MPI libraries were installed specifically for the QDR network or for the EDR network and those module files will have an '''-QDR''' or '''-EDR''' extension in their names. -->


MPICH 1.2.7 binaries (mpif77, mpif90, mpicc, mpicxx, mpirun, etc) use the PGI compilers and are installed in /usr/local/pgi/linux86-64/2012/mpi/mpich/bin/, a directory that is NOT in all users’ default path. MPICH is outdated and is not tightly integrated with the queueing system; therefore, we do not recommend its use. However, if your application requires MPICH (and it does not work with MPICH2), you can use these commands with the full path, e.g. /usr/local/pgi/linux86-64/2012/mpi/mpich/bin/mpicc, /usr/local/pgi/linux86-64/2012/mpi/mpich/bin/mpirun, etc.
For more information on Environment Modules, please see the [[Lmod]] page.
The following MPI libraries are available:
<!--
====MVAPICH2====
 
You can find all MVAPICH2 modules available on Sapelo2 by running the following command on a Sapelo2 node:
<pre class="gcommand">
module spider MVAPICH2
</pre>
Module names that have an -QDR or -EDR extension only work for the corresponding IB network. Module names without such an extension can be used on either IB network. The module names have the format MVAPICH2/''Version''-''CompilerToolchain''-''ToolchainVersion''.


For information on how to run MPICH jobs, please refer to [[Running Jobs on zcluster]].
For example, these are some of the modules available:


====MPICH2====
<pre class="gcomment">
[shtsai@ss-sub1 ~]$ module spider MVAPICH2


MPICH2 is a Message Passing Interface (MPI) library that implements both MPI-1 and MPI-2 standards. For more information on MPICH2, please see http://www.mcs.anl.gov/research/projects/mpich2. Because MPICH is not under active development anymore, we recommend users to use MPICH2 whenever possible. The following versions of MPICH2 are installed:
-----------------------------------------------------------------------------------------------------------------------------------------------
  MVAPICH2:
-----------------------------------------------------------------------------------------------------------------------------------------------
    Description:
      This is an MPI 3.1 implementation. It is based on MPICH2 and MVICH.


* MPICH2 version 1.4.1p1, using GNU 4.1.2: installed in /usr/local/mpich2/1.4.1p1/gcc412/bin
    Versions:
* MPICH2 version 1.4.1p1, using GNU 4.4.4: installed in /usr/local/mpich2/1.4.1p1/gcc_4.4.4/bin
        MVAPICH2/2.3.6-GCC-9.3.0
* MPICH2 version 1.4.1p1, using GNU 4.5.3: installed in /usr/local/mpich2/1.4.1p1/gcc_4.5.3/bin
        MVAPICH2/2.3.7-1-GCC-9.3.0
* MPICH2 version 1.4.1p1, using PGI 11.8: installed in /usr/local/mpich2/1.4.1p1/pgi_11.8/bin
    Other possible modules matches:
* MPICH2 version 1.4.1p1, using PGI 12.3: installed in /usr/local/mpich2/1.4.1p1/pgi123/bin
        gmvapich2
* MPICH2 version 1.4.1p1, using Intel 13.0: installed in /usr/local/mpich2/1.4.1p1/intel130/bin


* MPICH2 version 3.0.4, using GNU 4.4.7: installed in /usr/local/mpich2/3.0.4/gcc444/bin
-----------------------------------------------------------------------------------------------------------------------------------------------
* MPICH2 version 3.0.4, using GNU 4.5.3: installed in /usr/local/mpich2/3.0.4/gcc453/bin
  To find other possible module matches execute:
* MPICH2 version 3.0.4, using PGI 12.10: installed in /usr/local/mpich2/3.0.4/pgi1210/bin
* MPICH2 version 3.0.4, using Intel 14.0: installed in /usr/local/mpich2/3.0.4/intel140/bin


      $ module -r spider '.*MVAPICH2.*'


The default version of MPICH2, which is on users’ default path is MPICH2 version 1.4.1p1, using PGI 12.3. The other directories are NOT in users’ default path. To use these installations of MPICH2 you need to use the full path to the executables, e.g.  /usr/local/mpich2/1.4.1p1/gcc_4.4.4/bin/mpicc, /usr/local/mpich2/1.4.1p1/gcc_4.4.4/bin/mpif90, etc.
-----------------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "MVAPICH2" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:


'''Example using the default version of MPICH2'''
    $ module spider MVAPICH2/2.3.7-1-GCC-9.3.0
-----------------------------------------------------------------------------------------------------------------------------------------------
</pre>


To compile a Fortran90 MPI code:
Once the appropriate module is loaded, you can compile code with '''mpicc, mpicxx,''' '''mpic++,''' '''mpifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.
-->
====OpenMPI====


You can find all OpenMPI modules available on Sapelo2 by running the following command on a Sapelo2 node:
<pre class="gcommand">
<pre class="gcommand">
mpif90 -o program program.f90
module spider OpenMPI
</pre>
</pre>


An executable program will be created. You can add other PGI compiler flags (e.g. optimization flags) if appropriate.
The module names have the format OpenMPI/''Version''-''CompilerToolchain''-''ToolchainVersion''.


To run the executable program using for example 4 processors, type
For example, these are some of the modules available:


<pre class="gcommand">
<pre class="gcomment">
mpirun -np 4 -f host.list ./program
[shtsai@ss-sub1 ~]$ module spider OpenMPI
 
-----------------------------------------------------------------------------------------------------------------------------------------------
  OpenMPI:
-----------------------------------------------------------------------------------------------------------------------------------------------
    Description:
      The Open MPI Project is an open source MPI-3 implementation.
 
    Versions:
        OpenMPI/3.1.4-GCC-8.3.0
        OpenMPI/3.1.4-iccifort-2019.5.281
        OpenMPI/4.0.5-GCC-10.2.0
        OpenMPI/4.1.1-GCC-10.3.0
        OpenMPI/4.1.1-GCC-11.2.0
        OpenMPI/4.1.4-GCC-11.3.0
        OpenMPI/4.1.4-GCC-12.2.0
        OpenMPI/4.1.4-intel-compilers-2022.1.0
        OpenMPI/4.1.5-GCC-12.3.0
        OpenMPI/4.1.6-GCC-13.2.0
 
------------------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "OpenMPI" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:
 
    $ module spider OpenMPI/4.1.6-GCC-13.2.0
-----------------------------------------------------------------------------------------------------------------------------------------------
</pre>
</pre>


'''Example using MPICH2 3.0.4 with GNU 4.4.7 compilers'''
Once the appropriate module is loaded, you can compile code with '''mpicc, mpiCC, mpicxx,''' '''mpic++,''' '''mpifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.
 
=== Intel MPI ===
You can find all Intel MPI modules available on Sapelo2 by running the following command on a Sapelo2 node:<pre class="gcommand">
module spider impi
</pre>The module names have the format impi/''Version''-''CompilerToolchain''-''ToolchainVersion.''
 
For example, these are some of the modules available:<pre class="gcomment">
[shtsai@ss-sub1 ~]$ module spider impi
 
------------------------------------------------------------------------------------------------------------------------------------
  impi:
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      Intel MPI Library, compatible with MPICH ABI
 
    Versions:
        impi/2021.4.0-intel-compilers-2021.4.0
        impi/2021.6.0-intel-compilers-2022.1.0
        impi/2021.9.0-intel-compilers-2023.1.0
    Other possible modules matches:
        iimpi
 
------------------------------------------------------------------------------------------------------------------------------------
  To find other possible module matches execute:
 
      $ module -r spider '.*impi.*'
 
------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "impi" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:
 
    $ module spider impi/2021.9.0-intel-compilers-2023.1.0
------------------------------------------------------------------------------------------------------------------------------------
</pre>Once the appropriate module is loaded, you can compile code with '''mpicc, mpiicc, mpicxx, mpiicpc,''' '''mpiifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.
 
===MPI commands and how to launch MPI programs===
 
{|  width="100%" border="1"  cellspacing="0" cellpadding="2" align="center" class="wikitable unsortable"
|-
! scope="col" | MPI library
! scope="col" | Version
! scope="col" | Base toolchain
! scope="col" | Toolchain
! scope="col" | Fortran
! scope="col" | C
! scope="col" | C++
! scope="col" | How to launch with Slurm
|-
 
| OpenMPI || 3.1.4-GCC-8.3.0 || GCCcore-8.3.0 || foss/2019b || mpif90 || mpicc || mpicxx || srun --mpi=pmi2
|-
| OpenMPI || 3.1.4-iccifort-2019.5.281 || GCCcore-8.3.0 || iomkl/2019b || mpif90 || mpicc || mpicxx || srun --mpi=pmi2
|-
| OpenMPI || 4.0.5-GCC-10.2.0 || GCCcore-10.2.0 || foss/2020b || mpif90 || mpicc || mpicxx || srun --mpi=pmi2
|-
| OpenMPI || 4.1.1-GCC-11.2.0 || GCCcore-11.2.0 || foss/2021b || mpif90 || mpicc || mpicxx || srun
|-
| OpenMPI || 4.1.4-GCC-11.3.0 || GCCcore-11.3.0 || foss/2022a || mpif90 || mpicc || mpicxx || srun
|-
| OpenMPI || 4.1.4-intel-compilers-2022.1.0 || GCCcore-11.3.0 || iomkl/2022a || mpif90 || mpicc || mpicxx || srun
|-
| OpenMPI || 4.1.4-GCC-12.2.0 || GCCcore-12.2.0 || foss/2022b || mpif90 || mpicc || mpicxx || srun
|-
| OpenMPI || 4.1.5-GCC-12.3.0 || GCCcore-12.3.0 || foss/2023a || mpif90 || mpicc || mpicxx || srun
|-
| OpenMPI || 4.1.6-GCC-13.2.0 || GCCcore-13.2.0 || foss/2023b || mpif90 || mpicc || mpicxx || srun
|-
| Intel MPI || 2021.4.0-intel-compilers-2021.4.0 || GCCcore-11.2.0 || intel/2021b || mpiifort || mpiicc || mpiicpc || srun
|-
| Intel MPI || 2021.6.0-intel-compilers-2022.1.0 || GCCcore-11.3.0 || intel/2022a || mpiifort || mpiicc || mpiicpc || srun
|-
| Intel MPI || 2021.9.0-intel-compilers-2023.1.0 || GCCcore-12.3.0 || intel/2023a || mpiifort || mpiicc || mpiicpc || srun
|-
|}
 
====Note====
 
If your MPI job receives any of the following or similar errors:
*PMIX ERROR: OUT-OF-RESOURCE in file base/bfrop_base_unpack.c at line 750
*PMIX ERROR: UNPACK-PAST-END in file base/bfrop_base_unpack.c at line 750
*PMIX ERROR: UNPACK-INADEQUATE-SPACE in file base/gds_base_fns.c at line 138
*UNPACK-PMIX-VALUE: UNSUPPORTED TYPE 126
then please use <code>srun --mpi=pmi2</code> to start the MPI application.
 
----
[[#top|Back to Top]]
 
==MPI Libraries for parallel jobs on the teaching cluster==


To compile a C MPI code:
All compute nodes on Sapelo2 have Infiniband (IB) interconnect via '''EDR''' Infiniband network (100Gbps). Various IB-enabled MPI libraries are available and users can set the environment variables for the MPI library of choice by loading the corresponding module file.


For more information on Environment Modules, please see the [[Lmod]] page.
The following MPI libraries are available:
<!--
====MVAPICH2====
You can find all MVAPICH2 modules available on the teaching cluster by running the following command:
<pre class="gcommand">
<pre class="gcommand">
/usr/local/mpich2/3.0.4/gcc447/bin/mpicc -o program program.c
module spider MVAPICH2
</pre>
</pre>
Module names that have an -QDR or -EDR extension only work for the corresponding IB network. Module names without such an extension can be used on either IB network. The module names have the format MVAPICH2/''Version''-''CompilerToolchain''-''ToolchainVersion''.


An executable program will be created. You can add other GNU compiler flags (e.g. optimization flags) if appropriate.
For example, these are some of the modules available:


NOTE:
<pre class="gcomment">
Because the working directory is not in users’ default path, it is necessary to precede the binary by ./ when running it.
zhuofei@teach-sub1 ~$ ml spider MVAPICH2


SGE batch jobs that use MPICH2 do not need to have the mpirun -machinefile (or -f) options.
------------------------------------------------------------------------------------------------------------------------------------
  MVAPICH2:
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      This is an MPI 3.1 implementation. It is based on MPICH2 and MVICH.


When running jobs compiled with non-default MPICH2 libraries, you might have to add the corresponding library path to your LD_LIBRARY_PATH variable.
    Versions:
For example, to use MPICH2 3.0.4 with GNU 4.5.3 compilers, you need to add /usr/local/mpich2/3.0.4/gcc453/lib to your LD_LIBRARY_PATH, which can be
        MVAPICH2/2.3.2-GCC-7.3.0-2.30-EDR
done with
        MVAPICH2/2.3.2-GCC-8.3.0-EDR
        MVAPICH2/2.3.2-iccifort-2013_sp1.0.080-EDR
        MVAPICH2/2.3.2-iccifort-2015.2.164-GCC-4.8.5-EDR
        MVAPICH2/2.3.2-iccifort-2018.1.163-GCC-6.4.0-2.28-EDR
        MVAPICH2/2.3.2-iccifort-2019.5.281-EDR
        MVAPICH2/2.3.4-GCC-7.3.0-2.30
    Other possible modules matches:
        gmvapich2


For bash:
------------------------------------------------------------------------------------------------------------------------------------
<pre class="gcommand">
  To find other possible module matches execute:
export LD_LIBRARY_PATH=/usr/local/mpich2/3.0.4/gcc453/lib:${LD_LIBRARY_PATH}
 
      $ module -r spider '.*MVAPICH2.*'
 
------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "MVAPICH2" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:
 
    $ module spider MVAPICH2/2.3.4-GCC-7.3.0-2.30
------------------------------------------------------------------------------------------------------------------------------------
</pre>
</pre>


For csh/tcsh:
Once the appropriate module is loaded, you can compile code with '''mpicc, mpicxx,''' '''mpic++,''' '''mpifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.
-->
====OpenMPI====
 
You can find all OpenMPI modules available on the teaching cluster by running the following command:
<pre class="gcommand">
<pre class="gcommand">
setenv LD_LIBRARY_PATH  /usr/local/mpich2/3.0.4/gcc453/lib:${LD_LIBRARY_PATH}
module spider OpenMPI
</pre>
</pre>


For information on how to run executables linked to MPICH2, please refer to [[Running Jobs on zcluster]].
The module names have the format OpenMPI/''Version''-''CompilerToolchain''-''ToolchainVersion''.
 
For example, these are some of the modules available:
 
<pre class="gcomment">
zhuofei@teach-sub1 ~$ ml spider OpenMPI


====OpenMPI====
------------------------------------------------------------------------------------------------------------------------------------
  OpenMPI:
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      The Open MPI Project is an open source MPI-3 implementation.
 
    Versions:
        OpenMPI/3.1.4-GCC-8.3.0
        OpenMPI/4.1.1-GCC-11.2.0
        OpenMPI/4.1.2-GCC-11.2.0
        OpenMPI/4.1.4-GCC-11.3.0
        OpenMPI/4.1.4-GCC-12.2.0
 
--------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "OpenMPI" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:
 
    $ module spider OpenMPI/4.1.4-GCC-12.2.0
------------------------------------------------------------------------------------------------------------------------------------
</pre>
 
Once the appropriate module is loaded, you can compile code with '''mpicc, mpiCC, mpicxx,''' '''mpic++,''' '''mpifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.


OpenMPI is an open source Message Passing Interface (MPI) library that implements the MPI-2 standard. For more information on OpenMPI, please see http://www.open-mpi.org. The following versions of OpenMPI are available:
=== Intel MPI ===
You can find all Intel MPI modules available on the teaching cluster by running the following command:<pre class="gcommand">
module spider impi
</pre>The module names have the format impi/''Version''-''CompilerToolchain''-''ToolchainVersion''.


* OpenMPI version 1.4.4, using GNU 4.1.2: installed in /usr/local/openmpi/1.4.4/gcc412/bin
For example, these are some of the modules available:<pre class="gcomment">
* OpenMPI version 1.4.4, using GNU 4.4.4: installed in /usr/local/openmpi/1.4.4/gcc444/bin
zhuofei@teach-sub1 ~$ ml spider impi
* OpenMPI version 1.4.4, using GNU 4.5.3: installed in /usr/local/openmpi/1.4.4/gcc453/bin
* OpenMPI version 1.4.4, using PGI 11.8: installed in /usr/local/openmpi/1.4.4/pgi118/bin
* OpenMPI version 1.6.2, using GNU 4.1.2: installed in /usr/local/openmpi/1.6.2/gcc412/bin
* OpenMPI version 1.6.2, using GNU 4.4.4: installed in /usr/local/openmpi/1.6.2/gcc444/bin
* OpenMPI version 1.6.2, using GNU 4.5.3: installed in /usr/local/openmpi/1.6.2/gcc453/bin
* OpenMPI version 1.6.2, using GNU 4.7.1: installed in /usr/local/openmpi/1.6.2/gcc471/bin
* OpenMPI version 1.6.2, using PGI 12.8: installed in /usr/local/openmpi/1.6.2/pgi128/bin
* OpenMPI version 1.6.2, using Intel 13.0: installed in /usr/local/openmpi/1.6.2/intel130/bin


These directories are NOT in users’ default path. To use these installations of OpenMPI you need to use the full path to the executables, e.g.  /usr/local/openmpi/1.4.4/pgi118/bin/mpicc, /usr/local/openmpi/1.4.4/pgi118/bin/mpif90, etc. Note that when using OpenMPI/GNU 4.7.1, you will need to add /usr/local/gcc/4.7.1/lib64 to the LD_LIBRARY_PATH. For information on how to run executables linked to OpenMPI, please refer to [[Running Jobs on zcluster]].
------------------------------------------------------------------------------------------------------------------------------------
  impi: impi/2018.5.288-iccifort-2019.5.281
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      Intel MPI Library, compatible with MPICH ABI


====MVAPICH2====
    Versions:
        impi/2021.4.0-intel-compilers-2021.4.0
        impi/2021.6.0-intel-compilers-2022.1.0
        impi/2021.9.0-intel-compilers-2023.1.0
    Other possible modules matches:
        iimpi


MVAPICH2 is an MPI-2 implementation (conforming to MPI 2.2 standard) which includes all MPI-1 features for Infiniband. It is based on MPICH2 and MVICH. For information on MVAPICH2, please see http://mvapich.cse.ohio-state.edu/. The following versions of MVAPICH2 are available:
------------------------------------------------------------------------------------------------------------------------------------
  To find other possible module matches execute:


* MVAPICH2 version 1.7 (includes mpich2 1.4.1p1) using GNU 4.4.4: installed in /usr/local/mvapich2/1.7/gcc444/bin
      $ module -r spider '.*impi.*'
* MVAPICH2 version 1.7 (includes mpich2 1.4.1p1) using PGI 12.3: installed in /usr/local/mvapich2/1.7/pgi123/bin
* MVAPICH2 version 1.8 (includes mpich2 1.4.1p1) using GNU 4.4.4: installed in /usr/local/mvapich2/1.8/gcc444/bin
* MVAPICH2 version 1.8 (includes mpich2 1.4.1p1) using PGI 12.4: installed in /usr/local/mvapich2/1.8/pgi124/bin
* MVAPICH2 version 1.8.1 (includes mpich2 1.4.1p1) using PGI 13.2: installed in /usr/local/mvapich2/1.8.1/pgi132/bin
* MVAPICH2 version 1.8.1 (includes mpich2 1.4.1p1) using Intel 13.0: installed in /usr/local/mvapich2/1.8.1/intel130/bin


These directories are NOT in users’ default path. To use these installations of MVAPICH2 you need to use the full path to the executables.
------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "impi" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:


NOTE We recommend using MVAPICH2 for applications that have a lot of internodal communication, which can benefit from the high-speed, low-latency Infiniband interconnect.
    $ module spider impi/2021.9.0-intel-compilers-2023.1.0
------------------------------------------------------------------------------------------------------------------------------------
</pre>Once the appropriate module is loaded, you can compile code with '''mpicc, mpiicc, mpicxx, mpiicpc,''' '''mpiifort,''' '''mpif90,''' '''mpif77,''' etc. and you can run applications that were linked to the '''MPI libraries''' loaded by the module.


For information on how to run executables linked to MVAPICH2, please refer to [[Running Jobs on zcluster]].
[[#top|Back to Top]]

Latest revision as of 12:22, 5 August 2024


MPI Libraries for parallel jobs on Sapelo2

All compute nodes on Sapelo2 have Infiniband (IB) interconnect via EDR Infiniband network (100Gbps). Various IB-enabled MPI libraries are available and users can set the environment variables for the MPI library of choice by loading the corresponding module file.

For more information on Environment Modules, please see the Lmod page.

The following MPI libraries are available:

OpenMPI

You can find all OpenMPI modules available on Sapelo2 by running the following command on a Sapelo2 node: 

module spider OpenMPI

The module names have the format OpenMPI/Version-CompilerToolchain-ToolchainVersion.

For example, these are some of the modules available: 

[shtsai@ss-sub1 ~]$ module spider OpenMPI

-----------------------------------------------------------------------------------------------------------------------------------------------
  OpenMPI:
-----------------------------------------------------------------------------------------------------------------------------------------------
    Description:
      The Open MPI Project is an open source MPI-3 implementation.

     Versions:
        OpenMPI/3.1.4-GCC-8.3.0
        OpenMPI/3.1.4-iccifort-2019.5.281
        OpenMPI/4.0.5-GCC-10.2.0
        OpenMPI/4.1.1-GCC-10.3.0
        OpenMPI/4.1.1-GCC-11.2.0
        OpenMPI/4.1.4-GCC-11.3.0
        OpenMPI/4.1.4-GCC-12.2.0
        OpenMPI/4.1.4-intel-compilers-2022.1.0
        OpenMPI/4.1.5-GCC-12.3.0
        OpenMPI/4.1.6-GCC-13.2.0

------------------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "OpenMPI" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:

     $ module spider OpenMPI/4.1.6-GCC-13.2.0
-----------------------------------------------------------------------------------------------------------------------------------------------

Once the appropriate module is loaded, you can compile code with mpicc, mpiCC, mpicxx, mpic++, mpifort, mpif90, mpif77, etc. and you can run applications that were linked to the MPI libraries loaded by the module.

Intel MPI

You can find all Intel MPI modules available on Sapelo2 by running the following command on a Sapelo2 node:

module spider impi

The module names have the format impi/Version-CompilerToolchain-ToolchainVersion. For example, these are some of the modules available:

[shtsai@ss-sub1 ~]$ module spider impi

------------------------------------------------------------------------------------------------------------------------------------
  impi:
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      Intel MPI Library, compatible with MPICH ABI

     Versions:
        impi/2021.4.0-intel-compilers-2021.4.0
        impi/2021.6.0-intel-compilers-2022.1.0
        impi/2021.9.0-intel-compilers-2023.1.0
     Other possible modules matches:
        iimpi

------------------------------------------------------------------------------------------------------------------------------------
  To find other possible module matches execute:

      $ module -r spider '.*impi.*'

------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "impi" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:

     $ module spider impi/2021.9.0-intel-compilers-2023.1.0
------------------------------------------------------------------------------------------------------------------------------------

Once the appropriate module is loaded, you can compile code with mpicc, mpiicc, mpicxx, mpiicpc, mpiifort, mpif90, mpif77, etc. and you can run applications that were linked to the MPI libraries loaded by the module.

MPI commands and how to launch MPI programs

MPI library Version Base toolchain Toolchain Fortran C C++ How to launch with Slurm
OpenMPI 3.1.4-GCC-8.3.0 GCCcore-8.3.0 foss/2019b mpif90 mpicc mpicxx srun --mpi=pmi2
OpenMPI 3.1.4-iccifort-2019.5.281 GCCcore-8.3.0 iomkl/2019b mpif90 mpicc mpicxx srun --mpi=pmi2
OpenMPI 4.0.5-GCC-10.2.0 GCCcore-10.2.0 foss/2020b mpif90 mpicc mpicxx srun --mpi=pmi2
OpenMPI 4.1.1-GCC-11.2.0 GCCcore-11.2.0 foss/2021b mpif90 mpicc mpicxx srun
OpenMPI 4.1.4-GCC-11.3.0 GCCcore-11.3.0 foss/2022a mpif90 mpicc mpicxx srun
OpenMPI 4.1.4-intel-compilers-2022.1.0 GCCcore-11.3.0 iomkl/2022a mpif90 mpicc mpicxx srun
OpenMPI 4.1.4-GCC-12.2.0 GCCcore-12.2.0 foss/2022b mpif90 mpicc mpicxx srun
OpenMPI 4.1.5-GCC-12.3.0 GCCcore-12.3.0 foss/2023a mpif90 mpicc mpicxx srun
OpenMPI 4.1.6-GCC-13.2.0 GCCcore-13.2.0 foss/2023b mpif90 mpicc mpicxx srun
Intel MPI 2021.4.0-intel-compilers-2021.4.0 GCCcore-11.2.0 intel/2021b mpiifort mpiicc mpiicpc srun
Intel MPI 2021.6.0-intel-compilers-2022.1.0 GCCcore-11.3.0 intel/2022a mpiifort mpiicc mpiicpc srun
Intel MPI 2021.9.0-intel-compilers-2023.1.0 GCCcore-12.3.0 intel/2023a mpiifort mpiicc mpiicpc srun

Note

If your MPI job receives any of the following or similar errors:

  • PMIX ERROR: OUT-OF-RESOURCE in file base/bfrop_base_unpack.c at line 750
  • PMIX ERROR: UNPACK-PAST-END in file base/bfrop_base_unpack.c at line 750
  • PMIX ERROR: UNPACK-INADEQUATE-SPACE in file base/gds_base_fns.c at line 138
  • UNPACK-PMIX-VALUE: UNSUPPORTED TYPE 126

then please use srun --mpi=pmi2 to start the MPI application.

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MPI Libraries for parallel jobs on the teaching cluster

All compute nodes on Sapelo2 have Infiniband (IB) interconnect via EDR Infiniband network (100Gbps). Various IB-enabled MPI libraries are available and users can set the environment variables for the MPI library of choice by loading the corresponding module file.

For more information on Environment Modules, please see the Lmod page.

The following MPI libraries are available:

OpenMPI

You can find all OpenMPI modules available on the teaching cluster by running the following command: 

module spider OpenMPI

The module names have the format OpenMPI/Version-CompilerToolchain-ToolchainVersion.

For example, these are some of the modules available: 

zhuofei@teach-sub1 ~$ ml spider OpenMPI

------------------------------------------------------------------------------------------------------------------------------------
  OpenMPI:
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      The Open MPI Project is an open source MPI-3 implementation.

     Versions:
        OpenMPI/3.1.4-GCC-8.3.0
        OpenMPI/4.1.1-GCC-11.2.0
        OpenMPI/4.1.2-GCC-11.2.0
        OpenMPI/4.1.4-GCC-11.3.0
        OpenMPI/4.1.4-GCC-12.2.0

--------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "OpenMPI" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:

     $ module spider OpenMPI/4.1.4-GCC-12.2.0
------------------------------------------------------------------------------------------------------------------------------------

Once the appropriate module is loaded, you can compile code with mpicc, mpiCC, mpicxx, mpic++, mpifort, mpif90, mpif77, etc. and you can run applications that were linked to the MPI libraries loaded by the module.

Intel MPI

You can find all Intel MPI modules available on the teaching cluster by running the following command:

module spider impi

The module names have the format impi/Version-CompilerToolchain-ToolchainVersion. For example, these are some of the modules available:

zhuofei@teach-sub1 ~$ ml spider impi

------------------------------------------------------------------------------------------------------------------------------------
  impi: impi/2018.5.288-iccifort-2019.5.281
------------------------------------------------------------------------------------------------------------------------------------
    Description:
      Intel MPI Library, compatible with MPICH ABI

     Versions:
        impi/2021.4.0-intel-compilers-2021.4.0
        impi/2021.6.0-intel-compilers-2022.1.0
        impi/2021.9.0-intel-compilers-2023.1.0
     Other possible modules matches:
        iimpi

------------------------------------------------------------------------------------------------------------------------------------
  To find other possible module matches execute:

      $ module -r spider '.*impi.*'

------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "impi" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:

     $ module spider impi/2021.9.0-intel-compilers-2023.1.0
------------------------------------------------------------------------------------------------------------------------------------

Once the appropriate module is loaded, you can compile code with mpicc, mpiicc, mpicxx, mpiicpc, mpiifort, mpif90, mpif77, etc. and you can run applications that were linked to the MPI libraries loaded by the module.

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