[gmx-users] compiler for windows gromacs

Erik Lindahl lindahl at csb.stanford.edu
Mon Feb 2 14:36:01 CET 2004


> Can somebody recommend a good compiler for gromacs under windows ?

If you are running natively you almost certainly want to use Microsoft 
Visual C, it's essentially the standard. There are project files for 
MSVC somewhere on the ftp.gromacs.org site, but they are still for 
version 3.1.x.

Under cygwin you also have gcc - the main advantage with that is that 
you can just use the standard ./configure ; make ; make install 

> Are the inner loop assembler routines working also on windows or 
> only with Linux ?

They work under windows. The microsoft assembler doesn't understand SSE 
instructions (haven't tried the .NET version, though), so you will have 
to download and install the free NASM assembler.

> Is there a windows binary of gmx-3.2 available anywhere ?

No. There might be once it stabilizes (3.2.2 or so) - another problem 
is that I'll need to find a windows machine with installed compilers 
since I don't plan on buying visual studio for my Mac :-)



More information about the gromacs.org_gmx-users mailing list