Dear all, I am trying to do a QM/MM calculation with gromacs/CPMD. When I try to use a parallel version of mdrun and CPMD I get a segmentation fault. I have seen in the examples that LAM is used in runcpmd. It is mandatory for parallel runs?
I do not have this problem when I run just CPMD in parallel Regards *********************************** Elena ETH Zürich and Università della Svizzera Italiana, USI
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
