Hi, I have compiled gromacs 4.0.5 on our mac cluster (64bit) using openmpi 1.3.3 and gcc 4.2.1.
No my problem is grompp. When I manually run grompp it runs smoothly, but when I run it as part of a job to our cluster it crashes: /var/spool/torque/mom_priv/jobs/ ... .SC: line 27: 91546 Segmentation fault grompp Any idea? Cheers, Itamar --- "In theory, there is no difference between theory and practice. But, in practice, there is." - Jan L.A. van de Snepscheut =========================================== | Itamar Kass, Ph.D. | Postdoctoral Research Fellow | | Department of Biochemistry and Molecular Biology | Building 77 Clayton Campus | Wellington Road | Monash University, | Victoria 3800 | Australia | | Tel: +61 3 9902 9376 | Fax: +61 3 9902 9500 | E-mail: itamar.k...@med.monash.edu.au ============================================ _______________________________________________ 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/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/mailing_lists/users.php
