Dear Sir,
I am new to Nwchem. I have downloaded and installed nwchem-6.6. The compilation was successful and an executable nwchem is created in the $NWCHEM_TOP/bin/LINUX64 directory. However, when I am trying to run the executable with the command
mpirun -np 2 $NWCHEM_TOP/bin/LINUX64/nwchem h2o_scf.nw | tee tamal.out
the following error message isi displayed on the screen:
mpirun -np 2 $NWCHEM_TOP/bin/LINUX64/nwchem h2o_scf.nw | tee tamal.out
libnuma: Warning: /sys not mounted or invalid. Assuming one node: No such file or directory
/home/test/nwchem-6.6/bin/LINUX64/nwchem: error while loading shared libraries: libmpi_usempi.so.20: cannot open shared object file: No such file or directory
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
/home/test/nwchem-6.6/bin/LINUX64/nwchem: error while loading shared libraries: libmpi_usempi.so.20: cannot open shared object file: No such file or directory
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[16854,1],0]
Exit code: 127
I can not understand the fault. Please help me out.
Sincerely,
Tamal
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