[gmx-users] patched version installation for free energy

[Justin Lemkul]

On 7/1/15 1:05 PM, Ahmet Yıldırım wrote:
> 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.
>

And you get the same error, even after starting from a fresh build directory?

-Justin

> 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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>
>
>
>

-- 
==================================================

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

==================================================