[gmx-developers] lammpi question

张倩 viviqzhang at gmail.com
Mon Dec 18 12:17:23 CET 2006


I have compiled the GROMACS in parallel, but when I run the mdrun :
    grompp -np 3 -v -f em -c b4em -o em -p 1
    mpiexec -n 3 mdrun -v -s em -o em -c after_em -g emlog
it comes the Fatal error:
            run input file em.tpr was made for 3 nodes, while mdrun expected
it to be for 1 nodes.

I used the GROMACS3.3.1+FFTW3.0.1+LAM7.1.1

I compiled the gromacs :
              ./configure --enbale-mpi --disable-nice
               nake install

Could you help me to solve the problem?Thank you!

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