[gmx-users] Unable to compile GROMACS 2020.1 using GNU 7.5.0

[Wei-Tse Hsu]

Dear gmx users,
Recently I've been trying to install GROMACS 2020.1. However, I encounter a
compilation error while using the make command. The error is as follows:





*/usr/bin/ld: cannot find /lib/libpthread.so.0/usr/bin/ld: cannot find
/usr/lib/libpthread_nonshared.acollect2: error: ld returned 1 exit
statusmake[2]: *** [lib/libgromacs.so.5.0.0] Error 1make[1]: ***
[src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2make: *** [all] Error 2*
>From the error above, it seemed that GROMACS was unable to find library
like libpthread.so.0 and libpthread_nonshared.a. After checking I found
that instead of in /lib/ and /usr/lib/, the files libpthread.so.0 and
libpthread_nonshared.a are in /lib/x86_64-linux-gnu and /usr/lib/
x86_64-linux-gnu. Therefore, I used the option DCMAKE_PREFIX_PATH to add
the paths of the libraries for GROMACS to search for. Specifically, the
command I was using is:
*tar xfz gromacs-2020.1.tar.gz && cd gromacs-2020.1 && mkdir build && cd
build && rm -rf * && cmake .. -DREGRESSIONTEST_DOWNLOAD=ON
-DCMAKE_CXX_COMPILER=g++-7 -DCMAKE_C_COMPILER=gcc-7
-DCMAKE_PREFIX_PATH=/usr/lib/x86_64-linux-gnu:/lib/x86_64-linux-gnu && make
> gmx_compile.log*
However, it turned out that I still got the same error. I'm confused right
now since I thought that gromacs should be able to find the files. I'm
wondering if I missed something. Could someone please tell me what I can do
or share some relevant experience? Any help is much appreciated!

Best,
Wei-Tse