[gmx-developers] When will 4.6 kernels be back?

ms devicerandom at gmail.com
Mon Nov 12 20:54:03 CET 2012


On 14/10/12 13:38, Christoph Junghans wrote:
> 2012/10/13 Roland Schulz <roland at utk.edu>:

>>
>> These are the verlet kernels. I don't know whether adress works with verlet.
>> If you want to try it you just need to add "cutoff-scheme=Verlet" to the
>> mdp.
> No, AdResS does not work with the Verlet scheme, I need to add a
> grompp check for that.
>>
>>> So, are kernels back? Are they not? If not, when should I check again? :)
>>
>> Soon ;-)
>> You can use "5ba7125c5972f2a^"  if you don't want to wait.
> That will work.
>

Okay, I tried to use that revision, but it fails me with a lot of 
man-page related errors during build: e.g.

---
Building C object src/tools/CMakeFiles/gmxana.dir/gmx_rmsdist.c.o
CMake Error: File 
/home/massimo/gromacs/gromacs-4.6git/gromacs/build-single-5ba7/src/kernel/g_x2top_git4.6.nroff 
does not exist.
CMake Error at 
/home/massimo/gromacs/gromacs-4.6git/gromacs/cmake/CreateManPage.cmake:6 
(configure_file):
   configure_file Problem configuring file
---

Steps:
git clone git://git.gromacs.org/gromacs.git

cd gromacs

git checkout --track -b release-4-6 origin/release-4-6

git reset --soft 5ba7125c5972f2a

mkdir build-single-5ba7

mkdir exec-single-5ba7

cd build-single-5ba7/

CC=mpicc CXX=mpiCC cmake ../ -DGMX_MPI=ON -DGMX_DEFAULT_SUFFIX=OFF 
-DGMX_BINARY_SUFFIX="_git4.6" -DGMX_LIBS_SUFFIX="_git4.6" -DGMX_GPU=OFF 
-DCMAKE_INSTALL_PREFIX=../exec-single-5ba7/

make -j 8


> Christoph
>
>>
>> Roland
>>
>>>
>>>
>>> cheers,
>>> Massimo
>>>
>>> --
>>> Massimo Sandal, Ph.D.
>>> http://devicerandom.org
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>>>
>>>
>>>
>>>
>>
>>
>>
>> --
>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
>> 865-241-1537, ORNL PO BOX 2008 MS6309
>>
>> --
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>
>
>


-- 
Massimo Sandal, Ph.D.
http://devicerandom.org



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