Re: [gmx-users] GPU warnings

2012-12-11 Thread Szilárd Páll
On Tue, Dec 11, 2012 at 6:49 PM, Mirco Wahab < mirco.wa...@chemie.tu-freiberg.de> wrote: > Am 11.12.2012 16:04, schrieb Szilárd Páll: > > It looks like some gcc 4.7-s don't work with CUDA, although I've been >> using >> various Ubuntu/Linaro versions, most recently 4.7.2 and had no >> issues what

Re: [gmx-users] GPU warnings

2012-12-11 Thread Mirco Wahab
Am 11.12.2012 16:04, schrieb Szilárd Páll: It looks like some gcc 4.7-s don't work with CUDA, although I've been using various Ubuntu/Linaro versions, most recently 4.7.2 and had no issues whatsoever. Some people seem to have bumped into the same problem (see http://goo.gl/1onBz or http://goo.gl/

Re: [gmx-users] GPU warnings

2012-12-11 Thread Szilárd Páll
Hi Thomas, It looks like some gcc 4.7-s don't work with CUDA, although I've been using various Ubuntu/Linaro versions, most recently 4.7.2 and had no issues whatsoever. Some people seem to have bumped into the same problem (see http://goo.gl/1onBz or http://goo.gl/JEnuk) and the suggested fix is t

Re: [gmx-users] GPU warnings

2012-12-09 Thread Thomas Evangelidis
> > 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

Re: [gmx-users] GPU warnings

2012-11-26 Thread Szilárd Páll
On Sun, Nov 25, 2012 at 8:47 PM, Thomas Evangelidis wrote: > Hi Szilárd, > > I was able to run code compiled with icc 13 on Fedora 17, but as I don't > > have Intel Compiler v13 on this machine I can't check it now. > > > > Please check if it works for you with gcc 4.7.2 (which is the default) > a

Re: [gmx-users] GPU warnings

2012-11-25 Thread Thomas Evangelidis
Hi Szilárd, I was able to run code compiled with icc 13 on Fedora 17, but as I don't > have Intel Compiler v13 on this machine I can't check it now. > > Please check if it works for you with gcc 4.7.2 (which is the default) and > let me know if you succeed. The performance difference between icc a

Re: [gmx-users] GPU warnings

2012-11-21 Thread Szilárd Páll
On Mon, Nov 19, 2012 at 6:25 PM, Szilárd Páll wrote: > On Mon, Nov 19, 2012 at 4:09 PM, Thomas Evangelidis wrote: > >> Hi Szilárd, >> >> I compiled with the Intel compilers, not gcc. In case I am missing >> something, these are the versions I have: >> > > Indeed, I see it now in the log file. Let

Re: [gmx-users] GPU warnings

2012-11-19 Thread Szilárd Páll
On Mon, Nov 19, 2012 at 4:09 PM, Thomas Evangelidis wrote: > Hi Szilárd, > > I compiled with the Intel compilers, not gcc. In case I am missing > something, these are the versions I have: > Indeed, I see it now in the log file. Let me try with icc 13 and will get back to you. > > glibc.i686

Re: [gmx-users] GPU warnings

2012-11-19 Thread Thomas Evangelidis
Hi Szilárd, I compiled with the Intel compilers, not gcc. In case I am missing something, these are the versions I have: glibc.i6862.15-57.fc17 @updates glibc.x86_64 2.15-57.fc17 @updates glibc-common.x86_64 2.15-57.fc17 @upda

Re: [gmx-users] GPU warnings

2012-11-19 Thread Szilárd Páll
Thomas & Albert, We are unable to reproduce the issue on FC 17 with glibc 2.15-58 and gcc 4.7.2. Please try to update your packages (you should have updates available for glibc), try recompiling with the latest 4.6 code and report back whether you succeed. Cheers, -- Szilárd On Fri, Nov 16, 2

Re: [gmx-users] GPU warnings

2012-11-16 Thread Szilárd Páll
Hi Albert, Apologies for hijacking your thread. Do you happen to have Fedora 17 as well? -- Szilárd On Sun, Nov 4, 2012 at 10:55 AM, Albert wrote: > hello: > > I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x > 1344 CUDA cores), and I got the following warnings: > > tha

Re: [gmx-users] GPU warnings

2012-11-16 Thread Szilárd Páll
Hi Thomas, The output you get means that you don't have any of the macros we try to use although your man pages seem to be referring to them. Hence, I'm really clueless why is this happening. Could you please file a bug report on redmine.gromacs.org and add both the initial output as well as my pa

Re: [gmx-users] GPU warnings

2012-11-15 Thread Justin Lemkul
On 11/15/12 9:53 AM, Thomas Evangelidis wrote: Hi Szilárd, This is the warning message I get this time: WARNING: Oversubscribing the available -66 logical CPU cores with 1 thread-MPI threads. This will cause considerable performance loss! I have also attached the md.log file. At

Re: [gmx-users] GPU warnings

2012-11-14 Thread Szilárd Páll
Hi Thomas, Could you please try applying the attached patch (git apply hardware_detect.patch in the 4.6 source root) and let me know what the output is? This should show which sysconf macro is used and what its return value is as well as indicate if none of the macros are in fact defined by your

Re: [gmx-users] GPU warnings

2012-11-10 Thread Thomas Evangelidis
On 10 November 2012 03:21, Szilárd Páll wrote: > Hi, > > You must have an odd sysconf version! Could you please check what is the > sysconf system variable's name in the sysconf man page (man sysconf) where > it says something like: > > _SC_NPROCESSORS_ONLN > The number of proces

Re: [gmx-users] GPU warnings

2012-11-09 Thread Szilárd Páll
Hi, You must have an odd sysconf version! Could you please check what is the sysconf system variable's name in the sysconf man page (man sysconf) where it says something like: _SC_NPROCESSORS_ONLN The number of processors currently online. The first line should be one of the fol

Re: [gmx-users] GPU warnings

2012-11-09 Thread Szilárd Páll
Hi, On Tue, Nov 6, 2012 at 12:03 AM, Thomas Evangelidis wrote: > Hi, > > I get these two warnings when I run the dhfr/GPU/dhfr-solv-PME.bench > benchmark with the following command line: > > mdrun_intel_cuda5 -v -s topol.tpr -testverlet > > "WARNING: Oversubscribing the available 0 logical CPU co

Re: [gmx-users] GPU warnings

2012-11-05 Thread Thomas Evangelidis
Hi, I get these two warnings when I run the dhfr/GPU/dhfr-solv-PME.bench benchmark with the following command line: mdrun_intel_cuda5 -v -s topol.tpr -testverlet "WARNING: Oversubscribing the available 0 logical CPU cores with 1 thread-MPI threads." 0 logical CPU cores? Isn't this bizarre? My C

Re: [gmx-users] GPU warnings

2012-11-05 Thread Szilárd Páll
The first warning indicates that you are starting more threads than the hardware supports which would explain the poor performance. Could share a log file of the suspiciously slow run as well as the command line you used to start mdrun? Cheers, -- Szilárd On Sun, Nov 4, 2012 at 5:32 PM, Albert

Re: [gmx-users] GPU warnings

2012-11-04 Thread Albert
well, IC. the performance is rather poor than GTX590. 32ns/day vs 4 ns/day probably that's also something related to the warnings? THX On 11/04/2012 01:59 PM, Justin Lemkul wrote: On 11/4/12 4:55 AM, Albert wrote: hello: I am running Gromacs 4.6 GPU on a workstation with two GTX 660

Re: [gmx-users] GPU warnings

2012-11-04 Thread Thomas Evangelidis
I 'm also get the first warning ("oversubscribing the available...") and see no obvious performance gain. Do you know how to avoid that? thanks, Thomas On 4 November 2012 14:59, Justin Lemkul wrote: > > > On 11/4/12 4:55 AM, Albert wrote: > >> hello: >> >> I am running Gromacs 4.6 GPU on a

Re: [gmx-users] GPU warnings

2012-11-04 Thread Justin Lemkul
On 11/4/12 4:55 AM, Albert wrote: hello: I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x 1344 CUDA cores), and I got the following warnings: thank you very much. ---messages--- WARNING: On node 0: oversubscribi

[gmx-users] GPU warnings

2012-11-04 Thread Albert
hello: I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x 1344 CUDA cores), and I got the following warnings: thank you very much. ---messages--- WARNING: On node 0: oversubscribing the available 0 logical CPU cores