2016-05-23 12:05 GMT-06:00 rjadrich2 <[email protected]>:
> Hello Christoph,
>
> Upon trying to install VOTCA I am getting a very strange error message:
>
>
> -- checking for module 'libgromacs_d'
> --   package 'libgromacs_d' not found
> -- checking for module 'libgromacs'
> --   found libgromacs, version 5.0.6
> -- Looking for GromacsVersion in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so
> -- Looking for GromacsVersion in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so -
> found
> -- Looking for init_domdec_vsites in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so
> -- Looking for init_domdec_vsites in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so -
> found
> -- Looking for gmx_gpu_sharing_supported in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so
> -- Looking for gmx_gpu_sharing_supported in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so -
> not found
> -- Looking for c++ gmx_is_single_precision in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so
> -- Looking for c++ gmx_is_single_precision in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so -
> not found
> -- Looking for c++ gmx_is_double_precision in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so
> -- Looking for c++ gmx_is_double_precision in
> /opt/apps/intel15/mvapich2_2_1/gromacs/5.0.6/x86_64/lib64/libgromacs.so -
> not found
> CMake Error at CMakeModules/FindGROMACS.cmake:61 (message):
>   Could not find neither gmx_is_single_precision nor gmx_is_double_precision
>   in the gromacs library, that is very very strange, take look at the error
>   message in /home1/03112/bal2488/votca/src/csg/CMakeFiles/CMakeError.log to
>   find out what was going wrong.  This most likely means that your gromacs
>   version is too old, we need at least gromacs 5 !
> Call Stack (most recent call first):
>   CMakeLists.txt:82 (find_package)
>
>
> I am using Gromacs 5.0.6 so the "we need at least gromacs 5" is strange. I
> am also using CMake 3.1.0 to avoid the issue in some earlier versions. Do
> you have any thoughts on this?
Which version of VOTCA is that?

Can you post your CMakeError.log?

Thanks,

Christoph
>
> Thanks so much!
>
> Best,
>
> Ryan
>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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