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

[Qing Lv]

Thank you. I have just received the response from Dr. Jochen Hub and solved this problem.Qing

At 2017-05-14 22:42:30, "Qing Lv" <lvqingjiejie at 163.com> wrote:
>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.
>Qing
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