[gmx-users] Anyone use FMA (Functional Mode Analysis) ?

Qing Lv lvqingjiejie at 163.com
Sun May 14 16:58:48 CEST 2017

Hi Colleagues,

I am trying to compile FMA (Functional Mode Analysis), developed by Dr. Jochen Hub. However, I met difficulties in the installation. According to the instructions, I installed Gromacs 4.0.5 (also tried 4.0.7) and the related libraries (libf2c, lapack, mpich, etc).
Firstly, cmake . did not give error messages;
When executing make, I got the following messages:
[ 80%] Building C object CMakeFiles/fma.dir/files/gromacs-4.0.5/src/tools/eigensolver.c.o
/files/gromacs-4.0.5/src/tools/eigensolver.c: In function ‘eigensolver’:
/files/gromacs-4.0.5/src/tools/eigensolver.c:65: warning: unused variable ‘iu’
/files/gromacs-4.0.5/src/tools/eigensolver.c:65: warning: unused variable ‘il’
Linking C executable fma
/usr/bin/ld: cannot find -lmd_mpi
collect2: ld returned 1 exit status
make[2]: *** [fma] Error 1
make[1]: *** [CMakeFiles/fma.dir/all] Error 2
make: *** [all] Error 2

I googled this message but have not found useful info. Also, it seems that Dr. Hub might have stopped the maintenance of this program.
It seems that "-lmd_mpi" is a component of Gromacs. I tried higher GMX versions like 4.5.4, but found it incompatible with FMA. Have anyone used this program? Any help is highly appreciated.

Thanks a lot.

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