The application is Siesta-3.2 and the command I use is
/share/apps/computer/openmpi-1.6.5/bin/mpirun -hostfile hosts.txt -np 15 /share/apps/chemistry/siesta-3.2-pl-5/tpar/transiesta < trans-cc-bt-cc-163-20.fdf There is one node in the hosts.txt file. I have built transiesta binary from the source which uses /share/apps/computer/openmpi-1.6.5/bin/mpif90 -- Regards, Mahmood _______________________________________________ users mailing list users@lists.open-mpi.org https://rfd.newmexicoconsortium.org/mailman/listinfo/users
