Re: [gmx-users] Benchs on gcc and pgi

Hi, On May 18, 2006, at 11:47 PM, Not wanting to press on this subject, that from previous discussions in this list seems to be a somewhat "sensible" one: You mean that the only and last thing that still need/should be "converted" to make Gromacs run on GPUs (or somehow slacing the job

Re: [gmx-users] Benchs on gcc and pgi

Hi Erik! Normal simulations aren't using any linear algebra stuff at all. BLAS & LAPACK are only useful when you do matrix stuff, for instance normal mode analysis. Ouch, obvious mistake. Sorry, apologize the error from someone programming too much analysis tolls, rather than the simulation

Re: [gmx-users] Benchs on gcc and pgi

Hi, Anyone could tell me if this kind of behavior, of both PGI and acml use as external blas and lapack, is correct? Normal simulations aren't using any linear algebra stuff at all. BLAS & LAPACK are only useful when you do matrix stuff, for instance normal mode analysis. P.S.: I was

[gmx-users] Benchs on gcc and pgi

Hi all! Well, first of all, sorry if it's on the wrong gromacs list, but from what I could see on the website I could not find a clear indication on where to put benchmarks. Anyway, some time ago I asked the list for help on making this benchmarks, on which I want to compare different com