Dear Haider Abbas,

do all the nodes have access to the same filesystem? I remember getting such (or similar) errors when I wanted to run a job on nodes with separate filesystem... In this case be sure that each node has access to the temporary directory. See also input variables outdir and wfcdir

Regards

Thomas Brumme


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On 12/04/18 09:41, Haider Abbas wrote:

Dear all,

I have prepared a 10 node cluster (each having 4 core). I have installed GAMESS and QUANTUM ESPRESSO. Gamess is running fine, but when I run quantum espresso with the command

mpiexec -n 4 ./pw.x -i relax2.in <http://relax2.in> > out.out &

I get no error and everything is fine. And the job run on all 4 core a single node.

But when I run the same job on the 10 node with the command

mpiexec -f hosts -n 40 ./pw.x -i relax2.in <http://relax2.in> > out.out &

I get the error


mpiuser@master:~/qe-29-11/bin$ ./pw.x: error while loading shared libraries: liblapack.so.3: cannot open shared object file: No such file or directory

./pw.x: error while loading shared libraries: liblapack.so.3: cannot open shared object file: No such file or directory

./pw.x: error while loading shared libraries: liblapack.so.3: cannot open shared object file: No such file or directory



However, I have "liblapack.so.3" in the same directory from where I am running the job.

I sought your help.
Thanking in advance.
with regards


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Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
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