[gmx-users] patched version installation for free energy

[Justin Lemkul]

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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