[gmx-users] gromacs-5.0.4 installation problem

[Szilárd Páll]

Something is strange about that Ubuntu installation, gcc 4.8.2 should
be the default.
--
Szilárd


On Fri, May 8, 2015 at 12:10 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi,
>
> The error means you need a newer compiler in order to take advantage of
> your hardware, e.g. the latest version of gcc you can get (which will
> probably require you add a new PPA), though I am surprised that cmake found
> a C++ compiler on 14.04 and then didn't find AVX support in it... something
> seems strange.
>
> Mark
>
> On Thu, May 7, 2015 at 8:46 PM Christopher Neale <
> chris.neale at alum.utoronto.ca> wrote:
>
>> 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.
>>
>> Chris.
>>
>> ________________________________________
>> 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
>> -DREGRESSIONTEST_DOWNLOAD=ON
>> -- No compatible CUDA toolkit found (v4.0+), disabling native GPU
>> acceleration
>> CMake Error at cmake/gmxTestSimd.cmake:220 (message):
>>   Cannot find AVX compiler flag.  Use a newer compiler, or choose SSE4.1
>> SIMD
>>   (slower).
>> 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?
>> Cheers
>> James
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.