Hi, This could be due to problems with MPICH. Could you please try openmpi and report back?
Thanks, Berk From: [email protected] To: [email protected] Date: Wed, 11 Aug 2010 18:09:00 +0900 Subject: [gmx-users] Replica Exchange problem in gmx-4.5 beta3 Hello! I'm doing a simple REMD test with 4 replicas. Time step : 2 fs Exchange : every 500fs md_0.tpr md_1.tpr md_2.tpr md_3.tpr mpiexec(or mpirun) -np 4 mdrun_mpi_d -deffnm md_ -multi 4 -replex 200 I got a error message. ##error## 1000000 steps, 2000.0 ps. step 600 rank 3 in job 10 localhost.localdomain_50305 caused collective abort of all ranks exit status of rank 3: killed by signal 11 rank 2 in job 10 localhost.localdomain_50305 caused collective abort of all ranks exit status of rank 2: killed by signal 11 Using gmx4.0.7 , It works fine. Is this bug in gmx-4.5 beta ? In log files, no error message were found. gmx-4.5 beta3 was compiled with icc 11.0 and mpich2-1.2.1p1. -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
