Dr. Niharendu Choudhury wrote:
Hi all users,
I have successfully installed gromacs-3.3.3 with fftw-3.1.2 in a LINUX
cluster x86_64 machines with both enable-mpi option and without it. But after
compilation in each of the two cases (with and without mpi) when I ran
make tests
following errors/failed messages result for all the simple and complex tests.
Can anybody help me? Part of the on-screen messages are as follows:
No topol.tpr file in angles1. grompp failed
FAILED. Check files in angles1
No topol.tpr file in angles125. grompp failed
FAILED. Check files in angles125
No topol.tpr file in bham. grompp failed
FAILED. Check files in bham
No topol.tpr file in bonds1. grompp failed
...........
Most likely grompp is not in your search path. Check grompp.out in the
subdirectories.
Sincerely
Niharendu Choudhury
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--
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Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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