Dear all,
I have installed the gromacs2018.1 parallel in a cluster, it works
perfectly in the command line, of course after loading some module.
But when I put the commands along with loading module commands in a bash
script to be submitted in the cluster, it crashes with the below massage:
++++++++++++++++++
ModuleCmd_Load.c(208):ERROR:105: Unable to locate a modulefile for
'intel/composerxe/2015.1.133'
gmx_mpi: /cm/shared/apps/gcc/4.8.1/lib64/libstdc++.so.6: version
`GLIBCXX_3.4.20' not found (required by
/home/alex23/.local/gromacs-2018.1/bin/../lib64/libgromacs_mpi.so.3)
And part of the log file:
gmx_mpi: /cm/shared/apps/gcc/4.8.1/lib64/libstdc++.so.6: version
`GLIBCXX_3.4.20' not found (required by
/home/alex44/.local/gromacs-2018.1/bin/../lib64/libgromacs_mpi.so.3)
gmx_mpi: /cm/shared/apps/gcc/4.8.1/lib64/libstdc++.so.6: version
`GLIBCXX_3.4.20' not found (required by
/home/alex44/.local/gromacs-2018.1/bin/../lib64/libgromacs_mpi.so.3)
gmx_mpi: /cm/shared/apps/gcc/4.8.1/lib64/libstdc++.so.6: version
`GLIBCXX_3.4.20' not found (required by
/home/alex44/.local/gromacs-2018.1/bin/../lib64/libgromacs_mpi.so.3)
gmx_mpi: error while loading shared libraries: libmkl_intel_lp64.so: cannot
open shared object file: No such file or directory
++++++++++++++++++
Here is part of my script.sh file
++++++++++++++++++
. /etc/profile.d/modules.sh
module load intel/composerxe/2015.1.133
module load shared
module load clusterA
module load gcc/4.8.1
module load sge/univa
module load clusterA-openmpi/intel/2015/1.8.1-mlnx-ofed
export PATH=$HOME/.local/gromacs-2018.1/bin:$PATH
export
LD_LIBRARY_PATH=$HOME/.local/gromacs-2018.1/lib64${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH}
++++++++++++++++
Do you know what I am missing?
Thanks
Alex
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