Dear All, I just configured the mdrun-gpu. When I tested "mdrun-gpu" by running gromacs-gpubench-dhfr.tar.gz which is from gromacs website. Unfortunately, it failed with segmentation fault. I don't think the system has any equilibrium problem since it works fine in "mdrun". I will appreciate a lot if anyone could help me for it.
Best Wishes, Jiangfeng. Jiangfeng Du, PhD Student Cardiovascular Research Institute Maastricht Department of Biochemistry P.O. Box 616 Mobile: +31-681741859 FAX: +31-43-3884159 6200 MD Maastricht The Netherlands-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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