Hi All,
Attached is a patch for updating the GPU support in AMBER 11. It includes
MPI support for GPU runs and also fixes a number of outstanding bugs. I am
hoping that some people can volunteer to test this given the size of the
changes.
You can apply this as follows:
1) tar xvjf Amber11.tar.bz2
2) tar xvjf AmberTools_1.4.tar.bz2
3) cd amber11
4) export AMBERHOME=/path_to/amber11/
5) wget
http://ambermd.org/bugfixes/11.0/bugfix.all
6) patch -p0 < bugfix.all
7) rm -f bugfix.all
8) wget
http://ambermd.org/bugfixes/AmberTools_1.4/bugfix.all
9) patch -p0 < bugfix.all
10) Save the apply_patch.x and 2010_10_16_ file and the
2010_10_16_13-22PDT_master_gpu_patch.bz2 in the amber11 directory.
11) bunzip2 2010_10_16_13-22PDT_master_gpu_patch.bz2
12) ./apply_patch.x 2010_10_16_13-22PDT_master_gpu_patch
Then you can build as per the instructions in the patch file.
Any problems please let me know.
My intention is to make this bugfix.9 for AMBER 11.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Sat Oct 16 2010 - 20:30:03 PDT
