[gmx-users] patched version installation for free energy

[Ahmet Yıldırım]

I am already trying to install it into a separate directory. Source files
is in the gromacs-patched folder. I created "gromacs" directory away from
$HOME/Public/gromacs-patched.

2015-07-01 18:56 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> On 7/1/15 12:52 PM, Ahmet Yıldırım wrote:
>
>> Hi,
>>
>> When I install the patched GROMACS version (
>>
>> https://github.com/gromacs/gromacs/tree/022ad08b2fd0c1de085e88ac81a61841c4daea9c
>> )
>> on cluster, I get the following error after command-2. Why do I get this
>> error?
>>
>> Command-1:
>> t-mn01 [~/Public/gromacs]$ cmake ../gromacs-patched -DGMX_GPU=OFF
>> -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/home/a/user/Public/gromacs
>>
>>
> Don't install into the source tree.
>
> -Justin
>
>  ....
>> -- Configuring done
>> -- Generating done
>> -- Build files have been written to: /home/a/user/Public/gromacs
>>
>> Command-2:
>> t-mn01 [~/Public/gromacs]$ make -j 8 install
>>
>> ....
>> -- Installing:
>>
>> /home/a/user/Public/gromacs/include/gromacs/trajectoryanalysis/cmdlinerunner.h
>> CMake Error at src/programs/cmake_install.cmake:42 (FILE):
>>    file INSTALL cannot find "/home/a/user/Public/gromacs/bin/gmx_mpi".
>> Call Stack (most recent call first):
>>    src/cmake_install.cmake:40 (INCLUDE)
>>    cmake_install.cmake:44 (INCLUDE)
>>
>>
>> make: *** [install] Error 1
>>
>>
>>
>>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
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-- 
Ahmet Yıldırım