[Dock-fans] Errors encountered while make test-nu parallel

Thanh Le thanh.q.le at sjsu.edu
Wed Jun 8 19:24:48 PDT 2016


The errors I encounter while installing dock6 gnu parallel:
Processing parallel dock6 test mpi
/bin/mpirun -np 2 ../../../bin/dock6.mpi -i mpi.dockin -o mpi.dockmpiout 
make[3]: /bin/mpirun: No such file or directory
make[3]: *** [mpi.dockmpiout] Error 1
make[2]: *** [test] Error 2
make[1]: *** [parallel] Error 2
make: *** [timed_test] Error 2

my gne parallel: 
MPICH_HOME=     /usr/local/Cellar/mpich/3.2_1
CC=          gcc
CXX=         $(MPICH_HOME)/bin/mpicxx
CFLAGS=      -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK -DMPICH_SKIP_MPICXX -I$(MPICH_HOME)/include -O2
FC=          gfortran
FFLAGS=      -O2 -fno-automatic -fno-second-underscore
LIBS=        -lm
LINK_WITHOUT_FORTRAN_MAIN=
LOAD=        $(MPICH_HOME)/bin/mpicxx
DOCK_SUFFIX= .mpi

I have no idea why I keep getting the errors listed above during make test.
Please help.
Also, I would like to know what what mpi command is to run flx.in
my path to dock6 file is
/Users/thanhle/desktop/dock7/bin
Thanks,
Thanh Le
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