[gmx-users] patched version installation for free energy

[Ahmet Yıldırım]

:) yes.

2015-07-01 19:08 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> 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
>>>
>>> ==================================================
>>> --
>>> Gromacs Users mailing list
>>>
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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
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Ahmet Yıldırım