Many thanks to Mark. When "--enable-threads" is omited,the compilation seems to be fine but "mdrun" can not run in parallel,e.g. trying to run on 6 nodes:
grompp -np 6 ..... mpirun -np 6 .... Fatal error: run input file md.tpr was made for 6 nodes,while mdrun_d expected it to be for 1 nodes _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
