[gmx-users] grompp

[主月 ：）]

Hi:
I've installed GROMACS for single and parrel in my clusters. And these two version are stalled in /home/gromacs_s/ and /home/gromacs_p/ respectively and both of them are not linked.

When i used the single version, every thing is ok.But when i used parrel version trouble is coming.
If i qsub with more than 1 node ,the outfile tell me the follows!(if i qsub with 1 node it is ok)




Reading file topol.tpr, VERSION 3.3 (single precision)
-------------------------------------------------------
Program mdrun, VERSION 3.3
Source code file: init.c, line: 69

Fatal error:
run input file topol.tpr was made for 1 nodes,
             while mdrun expected it to be for 5 nodes.




I used the command is "/home/gromacs_p/bin/grompp",and it finished successfully.

Can you help me to fix it !
3X!
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