[gmx-developers] Re: GROMACS 4.6 pre-release: new algorithms, parallelization schemes, & GPU acceleration

[Mirco Wahab]

Am 06.03.2012 14:25, schrieb Szilárd Páll:
> What was the issue with the FindCUDA script?

On configuring CUDA, cmake (2.8.7) on Win64/VS2010 bails out w/error:

CMake Error at C:/Apps/CMake/share/cmake-2.8/Modules/FindCUDA.cmake:877 
(message):
   Invalid format flag passed to CUDA_WRAP_SRCS: 'OBJ'.  Use OBJ or PTX.
Call Stack (most recent call first):
   C:/Apps/CMake/share/cmake-2.8/Modules/FindCUDA.cmake:1198 
(CUDA_WRAP_SRCS)
   src/gmxlib/cuda_tools/CMakeLists.txt:5 (CUDA_ADD_LIBRARY)


Interestingly, the parameter delivered to the macro in L.877
is obviously 'OBJ', as can be seen here. Therefore, I made a
quick temporary hack and explicitely set

    set( compile_to_ptx OFF )

in case of this error and turned the
error into a "notice". Diff is attached. I was not able
to deduce the real source of this error.

BTW, there seems to have been a tremendous effort in
enhancing Gromacs over the last months as can be
learned from the sources. Also the new tMPI imple-
mentation seems to be certainly faster when tested
against the 4.5.x internal-MPI on my 10^6 particle
test system.

Thanks & regards

M.
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: cmake.1.8.7.diff
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20120306/98e10941/attachment.ksh>