Installation issue(fatal error: 'omp.h' file not found)

User discussions
1

GROMACS version:2022
GROMACS modification: No.
Dear Sir
I just followed the instruction (Installation guide — GROMACS 2022 documentation) for installing GROMACS on my MAC laptop.
“tar xfz gromacs-2022.tar.gz
cd gromacs-2022
mkdir build
cd build
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC”
At the make shown in the webpage, I get this error.
… /Desktop/gromacs-2022/src/external/muparser/src/muParserBase.cpp:44:10: fatal error: ‘omp.h’ file not found
#include <omp.h>
**^~~~~~~**
How do I fix this error? Thank you very much for your help.

1 error generated.

2

Hi,

What compiler are you using? On Mac the most recent GCC is recommended and using that should fix this.

Although if your laptop is one of the recent M1 macs it could be more complicated. If so, maybe this thread can help you.

Regards,
Petter

3

I think I got it working. After updating GCC & using brew, the software works now. Thank you very much.

1 Like