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

[Thomas Evangelidis]

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.

thanks,
Thomas
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