Jens Pohl wrote:
Hello!
I have a similar problem with installing gromacs on a dual core machine.
When I go through the procedure described by Matheus Fazian Ige Gondo a bit further down installing lam/mpi then fftw and finally gromacs everything seems to be working fine, but lam/mpi doesn't recognize the two cores and with mdrun there will be an fatal error. grompp and mdrun both were run with -np 2 and the output of mdrun says, that the file was made for two nodes but mdrun expected it to be for one node.
With lamnodes there is only one node on cpu0 on localhost... What to do in this
case?
Read the LAM documentation to find out how to configure lam to put two
processes on the same host. Then, restart LAM. Then use mpirun -n 2
mdrun -n 2 and your other options.
Mark
_______________________________________________
gmx-users mailing list [email protected]
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
