[gmx-users] Installation of GROMACS 5.1

[Mikhail Stukan]

Dear all,

I am facing the following problem during installation of GROMACS 5.1. After successful run of cmake, make and make install the only executable file I have in corresponding bin directory is "gmx" (actually gmx5.1single in my case). No usual grompp, mdrun etc. From the analysis of make logs it looks like all the other files were compiled but not linked.

The cmake string I use is
cmake -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=OFF -DGMX_DOUBLE=OFF -DGMX_CPU_ACCELERATION=AVX_256
-DBUILD_SHARED_LIBS=OFF -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=5.1single -DGMX_LIBS_SUFFIX=5.1single
-DCMAKE_INSTALL_PREFIX:PATH=/home/mstukan/gmx-5.1single

When I tried to use option
-DGMX_BUILD_MDRUN_ONLY=ON
Required mdrun file was successfully compiled, linked and installed in corresponding bin directory. However, all attempts to created full package failed up to now.

I have previously installed 4.x.x and 5.0.x versions and never had problems similar to this.

Any advice on this issue will be highly appreciated.

Many thanks in advance,

Mikhail


Mikhail Stukan, Ph.D.
Senior Research Scientist
Schlumberger Moscow Research
13, Pudovkina st.
Moscow, 119285
Russia
Tel: +7 495 9358200 ext 24017
Fax: +7 495 9358780
mstukan at slb.com<mailto:mstukan at slb.com>