> > gcc 4.7.2 is not supported by any CUDA version.
> >
>
> I suggest that you just fix it by editing the include/host_config.h and
> changing the version check macro (line 82 AFAIK). I've never had real
> problems with using new and officially not supported gcc-s, the version
> check is more of a
Hello:
I am compiling Gromacs4.6beta2 with intel cimpiler by command:
cmake .. -DGMX_MPI=ON
-DCMAKE_CXX_COMPILER=/soft/intel64/icc/bin/intel64/mpiCC
-DCMAKE_C_COMPILER=/soft/intel64/icc/bin/intel64/icc
But It fails with the following output:
Change Dir:
/home/albert/Downloads/gromacs
Hi,
I know that here for discussion about Gromacs,but I want to ask which program
is the best for structure building and manipulating. I work on graphene and
graphene oxide.
best,
Amir
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gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please
hello:
I am using the command:
acpype.py -p prmtop -x S13.rst
to convert Amber system into Gromacs system, but it failed when I try to
generate .tpr file:
WARNING 1 [file prmtop_GMX.top, line 19]:
Too few parameters on line (source file toppush.c, line 300)
WARNING 2 [file prmtop_GMX.top
On Sun, Dec 9, 2012 at 9:46 AM, Albert wrote:
> hello:
>
> I am using the command:
>
> acpype.py -p prmtop -x S13.rst
>
> to convert Amber system into Gromacs system, but it failed when I try to
> generate .tpr file:
>
>
> WARNING 1 [file prmtop_GMX.top, line 19]:
> Too few parameters on line (
On Sun, Dec 9, 2012 at 11:30 AM, Albert wrote:
> Hello:
>
>I am compiling Gromacs4.6beta2 with intel cimpiler by command:
>
> cmake .. -DGMX_MPI=ON
> -DCMAKE_CXX_COMPILER=/soft/intel64/icc/bin/intel64/mpiCC
> -DCMAKE_C_COMPILER=/soft/intel64/icc/bin/intel64/icc
>
You shouldn't use mpiCC as C
Hello!
I'm trying to download topolbuild1_2_1 in my Mac computer.
I understand that the executable file is in the same directory as the
Makefile. I also understand the thing about the PATH.
For different files I have downloaded, I was able to ./configure it and use
make, but for topolbuild, I wa
Hi,
The following error pops up during compilation of Gromacs-4.5.5 :
/home/gromacs-4.5.5/src/gmxlib/.libs/libgmx.so: undefined reference to
`pthread_setaffinity_np'. Could you please help me fix it?
I am installing it on
uname -m = x86_64
uname -r = 2.6.9-5.ELsmp
uname -s = Linux
uname -v =
Hi,
We've got a GPU cluster in our group and have really been looking forward to
running gromacs on it with full functionality. Unfortunately, it looks like our
NVIDIA Tesla C1060 cards aren't supported by the 4.6 beta. I was just wondering
if there was any chance that they would be support
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