[gmx-users] Problem compiling gromacs with mopac

Subhrangshu Supakar ssupakar at gmail.com
Wed Feb 4 10:44:42 CET 2009

Dear All,
I tried to compile gromacs4.0 with mopac but got the following error:

 -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -MT qm_mopac.lo -MD -MP -MF .deps/qm_mopac.Tpo -c
qm_mopac.c -o qm_mopac.o
qm_mopac.c:52:17: error: nsb.h: No such file or directory
mpicc: No such file or directory
make[3]: *** [qm_mopac.lo] Error 1
make[3]: Leaving directory `/home/supakar/bin/gromacs-4.0-MOPAC/src/mdlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/supakar/bin/gromacs-4.0-MOPAC/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/supakar/bin/gromacs-4.0-MOPAC/src'
make: *** [all-recursive] Error 1

Can anyone please help me out?

Thanks in advance.

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