Dear Sikandar Mashayak,
Thank you very much for your advise. That is a great solution. I have
another question.
When I run ./run in csg-tutorials/propane/atomistic/ with superuser mode
(su), it works. However, when I run the same thing without superuser, the
following error occured.
Is there any knowing solution? I very appreciate your help.
-------------------------------------------------------
Program grompp, VERSION 4.6.8-dev-20150706-eea54d0
Source code file: /home/chang/VOTCA/src/gromacs/src/gmxlib/futil.c, line:
542
File input/output error:
mdout.mdp
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
Best regards,
Chang
On Wed, Aug 12, 2015 at 12:03 PM, Sikandar Mashayak <[email protected]>
wrote:
> Hi Chang,
>
> The error says the cmake could not find GROMACS. Is gromacs installed on
> the machine? If yes, then make sure it is in the PATH. Or you can also try
> building gromacs with tools and csg by running
>
> ./build.sh --prefix ${prefix} -ud gromacs tools csg
>
> I hope it helps.
>
> Cheers,
> Sikandar
>
> On Wed, Aug 12, 2015 at 9:11 AM, CHANG <[email protected]> wrote:
>
>> Dear VOTCA users,
>>
>> I followed the votca installation process. There is an error occured
>> duing ./build.sh --prefix ${prefix} -ud tools csg
>>
>>
>> 1. su
>> 2. prefix=/home/chang/VOTCA
>> 3. mkdir -p ${prefix}/src
>> 4. cd ${prefix}/src
>> 5. wget http://votca.googlecode.com/hg/build.sh
>> 6. chmod +x build.sh
>> 7. ./build.sh --prefix ${prefix} -ud tools csg
>>
>> The following error ocuured. Would you please let me know what the
>> problem is?
>> Do I need to install gromacs first?
>>
>>
>>
>> -- Looking for sqrt in m - found
>> -- checking for module 'libgmx_d'
>> -- package 'libgmx_d' not found
>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
>> -- checking for module 'libgmx'
>> -- package 'libgmx' not found
>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
>> -- checking for module 'libgromacs_d'
>> -- package 'libgromacs_d' not found
>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
>> -- checking for module 'libgromacs'
>> -- package 'libgromacs' not found
>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
>> CMake Error at src/libcsg/CMakeLists.txt:20 (message):
>> gromacs not found, make sure you have installed at least the
>> gromacs-4.0.7
>> and it's dev package. If the gromacs module was not found above, make
>> sure
>> you have sourced GMXRC or set PKG_CONFIG_PATH yourself. (use option
>> -DGROMACS_PKG_OVERWRITE=libgmx/_d for gromacs<5.0 and
>> -DGROMACS_PKG_OVERWRITE=libgromacs/_d for gromacs>=5.0 to influence the
>> search.
>>
>>
>> -- Configuring incomplete, errors occurred!
>>
>>
>> Thank you very much for your help.
>>
>> Best regards,
>> Chang
>>
>>
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