Dmitri Dubov wrote:
Hi, all!
Is are any who uses GMX in MPI mode under cygwin?
I'm trying to install it. Based on oldgromacs site and wiki I installed
cygwin, FFTW and LAM/MPI. Unfortunately I failed to install libaio and
leaved it out. But when configuring gromacs with
./configure --enable-mpi --disable-float --enable-sse2 --enable-shared
LDFLAGS='-L/usr/local/lib'
it returns
checking for mpicc... mpicc
checking whether the MPI cc command works... configure: error: Cannot
compile and link MPI code with mpicc
Alternatively I try "Quick and Dirty Installation" from wiki with
openmpi, where all is OK until Gromacs configuring with
./configure --prefix=$SOFT --enable-mpi --with-gsl
The end of return is
checking for mpxlc... no
checking for mpicc... no
checking for mpcc... no
checking for hcc... no
checking whether the MPI cc command works... configure: error: Cannot
compile and link MPI code with cc
It seems fairly clear you don't have a working MPI installation - so
test and troubleshoot it, first.
Mark
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