[gmx-developers] GROMACS 4.6 error in file src/gromacs/analysisdata/analysisdata.cpp:45:0

Roland Schulz roland at utk.edu
Fri Aug 24 19:45:16 CEST 2012

On Fri, Aug 24, 2012 at 1:32 PM, Thomas Evangelidis <tevang3 at gmail.com>wrote:

>  Hi,
> I had Cuda v4.1 installed because OpenMM was compatible with that version.
> I removed it and installed successfully Cuda v4.2 (the latest production
> release) and Cuda SDK v.4.2.
> I then recompiled FFTW using different combinations of configure flags
> bust still no luck. Could you please provide a recommended configure
> command line for a 86_64 Linux laptop and the respective cmake options to
> compile GROMACS? I would greatly appreciate that.

Please try
and if that doesn't work

If you could provide us more information of why your gcc doesn't understand
-mavx that would be useful. Is gcc really 4.7 as cmake prints? Gcc 4.7
should support 4.7 thus this is confusing. How did you obtain gcc? Is it
from your distribution (if so which one) or did you download and compile
gcc yourself? If so how?


> thanks,
> Thomas

ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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