[gmx-users] Gromacs 5.0.5 compilation error

Yasser Almeida Hernández Yasser.Almeida.Hernandez at chemie.uni-hamburg.de
Mon Jul 20 15:42:58 CEST 2015

Hi all,

I am compiling Gromacs 5.0.5 and got this error:

../../lib/libgromacs_mpi.so.0.0.0: undefined reference to `__cudaInitModule'
collect2: error: ld returned 1 exit status
make[2]: *** [bin/template] Error 1
make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2
make: *** [all] Error 2

I installed the last version of CUDA toolkit libraries.

Thank in advance for your help.


Yasser Almeida Hernández
PhD student
Department of Chemistry
Institute of Biochemistry and Molecular Biology
University of Hamburg
Martin-Luther-King-Platz 6
20146 Hamburg
+49 40 42838 2845
office: Grindelallee 117, room 250c

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