[gmx-users] Compilation errors (5.0.4)

Satyabrata Das satyabratad04 at gmail.com
Mon Feb 2 09:57:21 CET 2015


Dear All,
I am trying to compile Gromacs 5.0.4 on a CPU / GPU cluster and the details
are as follows:

Intel compiler (12.1), Cuda 4.2,  MKL Library, single, GPU =on and however
unable to compile.

Please see the attached file for compilation details and errors / warnings:
The errors in the 'make install' stage is listed below:

CMake Error at src/programs/cmake_install.cmake:42 (file):
  file INSTALL cannot find
  "/export/home/satya/gromacs-5.0.4/build-intel-mkl-cuda/bin/gmx".
Call Stack (most recent call first):
  src/cmake_install.cmake:38 (include)
  cmake_install.cmake:48 (include)

make: *** [install] Error 1

Kindly help.

With best regards,

Satyabrata Das


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