[gmx-users] some hardware questions

melichercik melichercik at nh.cas.cz
Wed May 2 11:51:23 CEST 2012

Hi people,
we plan to buy some computer mostly for gromacs, so I want to ask you 
for some hints. I'd tried to do some research, but no success. :(

Have someone ever compared AMD Bulldozer and Sandy/Ivy Bridge 
architectures? Are there planed any optimizations in gmx core in asm 
parts? (if there are need).
Most interesting for me whould be to compare FX-8150 and i5-2550, 
I7-2600, i7-3570K or i7-3770 processors.

GPGPU - are there some real plans for supporting Radeon GPUs? Because 
OpenMP 3.x supports them - but I don't have any idea how complicate is 
to use newer OpenMP in GMX (and another work about it).

And are there bigger differences (if someone knows) in use 1 Gbps 
onboard NIC vs. "better"? add-on NIC cards e.g. Intel Pro/1000 CT or 
similar? In MPI calculations with use 4 to 8 cores per computing node.

Thanks a lot.

Milan Melichercik

More information about the gromacs.org_gmx-users mailing list