[gmx-users] minor issues of gmxtest.pl on mdrun-only builds

[Szilárd Páll]

Thanks for the report. Could you please file a redmine issue on
redmine.gromacs.org. Would you consider uploading a fix to our code review
site too?
--
Szilárd


On Wed, Sep 26, 2018 at 9:02 PM LAM, Tsz Nok <z.noklam at link.cuhk.edu.hk>
wrote:

> Dear all,
>
>
> When I tested my mdrun-only build with MPI support (after also building
> the normal, "full" gromacs package), I followed the installation guide web
> page on how to test the build by gmxtest.pl, but failed due to some weird
> naming issues of the gmx programs. Only the following works:
>
>
> 1. make a copy of the gmxtest.pl, and change the following lines:
>
>
> if ( $mpi_ranks > 0 ) {
>         if ($autosuffix) {
>             $gmx_cmd .= "_mpi";
>
>
> changing the last line to:
>
>             $gmx_cmd .= "";
>
> This prevents the perl script to find a command called, e.g. "gmx_mpi
> mdrun", which is not the way the "_mpi" suffix was added to program names
> ("mdrun_mpi" instead).
>
> 2. run gmxtest.pl with the following options:
>
> ./gmxtest_mpi.pl all -crosscompile -np 8 -mdrun mdrun_mpi
>
> (I have 4 cores in my computer)
>
> Hope that's the correct to run the test, then the installation guide web
> page may need some update to correct for the program naming conventions...
>
> Please correct me if something's wrong and hope it helps.
>
> (by the way i use version 2018.3)
>
> LAM Tsz-Nok
>
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