[gmx-users] MPI gromacs under cygwin

[Mark Abraham]

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