> Hi : > Mark, thanks for your advice. > > But i only use the single-processor.And the enviourment is RedHat 9.0 with > gromacs 3.3.1.
>> I install GMX FFTW MPI in my own folders. And then i used a begin >> structure which performed well at other computers to test the GMX >> programme. You need a correctly configured MPI environment to run the MPI version successfully, even on a single processor. Take MPI out of the equation to simplify your problem first, by using a non-MPI version of gromacs. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
