[gmx-users] RH80 upgrade problem - partial resolution
lindahl at stanford.edu
Fri Feb 28 21:57:33 CET 2003
> *Apparently* all went well, but when I came to try to set the MD going
> 2 processors of the server I found that there was no mdrun_mpi! This
> seems weird since I used the --enable-mpi flag with configure.
> How can I get an mdrun_mpi from conventional compilation?!
The type-prefix option is only available in fftw, and Gromacs is
compiled in single precision by default. For double, you'll have to use
When you run configure with --enable-mpi you should get an information
message at the end telling you that you can use
if you don't want to overwrite the normal binaries. You probably did
that, but just rename the mdrun program to mdrun_mpi and recompile the
non-mpi version to fix it.
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