[gmx-users] Gromacs 2018 installation failed

[Qinghua Liao]

Hello Elton,

Thanks a lot for your information, I already sent an e-mail to the 
administrator,
hopefully they will fix it.


All the best,
Qinghua

On 02/09/2018 08:03 PM, Elton Carvalho wrote:
> Hello, Qinghua,
>
> The error message refers to the standard library. I believe the package
> that provides this in ubuntu is glibc. Check that it's a current enough
> version.
>
> Another thing is that the liker (ld) needs to support C++11. That's the
> binutils package. I've had success with version 2.29. Not sure which is the
> lowest version required.
>
> Good luck,
> Elton
>
> On Fri, Feb 9, 2018 at 12:25 PM, Qinghua Liao <scorpio.liao at gmail.com>
> wrote:
>
>> Dear GMX developers,
>>
>> I am trying to install Gromacs2018 with cuda on clusters, the installation
>> was successful on one cluster,
>> but failed on the other cluster. I guess there might be some library
>> missing on the other cluster.
>>
>> For the succeeded one, the operating system is openSUSE 42.2 (GNU/Linux
>> 4.4.27-2-default), the compilers are gcc and c++ 4.8.5,
>> the CUDA version is 9.0.176, the MPI is openMPI 1.10.3
>>
>> For the failed one, the operating system is Ubuntu 16.04.3 (GNU/Linux
>> 4.4.0-109-generic x86_64), I tried CUDA 9.1.85  and 9.0.176,
>> together with gcc/c++ version 6.4, icc/icpc 2017.4, all were failed. The
>> error is the same:
>>
>>
>> -- Performing Test CXX11_STDLIB_PRESENT
>> -- Performing Test CXX11_STDLIB_PRESENT - Failed
>> CMake Error at cmake/gmxTestCXX11.cmake:210 (message):
>>    This version of GROMACS requires C++11-compatible standard library.
>> Please
>>    use a newer compiler, and/or a newer standard library, or use the GROMACS
>>    5.1.x release.  Consult the installation guide for details before
>> upgrading
>>    components.
>> Call Stack (most recent call first):
>>    CMakeLists.txt:168 (gmx_test_cxx11)
>>
>>
>> Here is my command:
>> CC=gcc CXX=c++ .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON
>> -DCMAKE_INSTALL_PREFIX=/--PATH--/Programs/Gromacs2018
>>
>> I am confused here that the old compilers worked but the new ones did not,
>> while the error message suggests to use newer compilers.
>> Could some one help me with fixing it? Thanks a lot!
>>
>>
>> All the best,
>> Qinghua
>> --
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>
>