[gmx-users] gromacs-5.0.4 installation problem

Christopher Neale chris.neale at alum.utoronto.ca
Thu May 7 20:45:37 CEST 2015

Gromacs only notified you about turning off the GPU code, that was not an error. The error was the AVX vs. SSE4.1 problem. Not sure why you are getting that since I thought cmake would get these things straight.


From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of James Lord <jjamesgreen110 at gmail.com>
Sent: 07 May 2015 14:05
To: gmx-users at gromacs.org
Subject: [gmx-users] gromacs-5.0.4 installation problem

Hi all,
I just installed a fresh ubuntu 14.04, and want to go ahead with
gromacs-5.0.4 installation, I am constantly getting this annoying message,
anyone can help?

root at ubuntu:~/gromacs-5.0.4/build# cmake .. -DGMX_BUILD_OWN_FFTW=ON
-- No compatible CUDA toolkit found (v4.0+), disabling native GPU
CMake Error at cmake/gmxTestSimd.cmake:220 (message):
  Cannot find AVX compiler flag.  Use a newer compiler, or choose SSE4.1
Call Stack (most recent call first):
  CMakeLists.txt:716 (gmx_test_simd)

-- Configuring incomplete, errors occurred!
See also "/home/james/gromacs-5.0.4/build/CMakeFiles/CMakeOutput.log".
See also "/home/james/gromacs-5.0.4/build/CMakeFiles/CMakeError.log".

After this I did
sudo apt-get install nvidia-cuda-toolkit
but still i am getting the same message
Any comments?
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