[gmx-users] Gromacs 2018 installation failed

[Elton Carvalho]

If you are in a hurry, you can download the binutils package from here
https://www.gnu.org/software/binutils/ and compile it on your own, setting
the PREFIX to a directory in your home, then use $PATH to make your binary
the highest priority.

Cheers,
Elton

On Fri, Feb 9, 2018 at 8:17 PM, Qinghua Liao <scorpio.liao at gmail.com> wrote:

> 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
>>> --
>>> Gromacs Users mailing list
>>>
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>>>
>>
>>
>>
>>
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-- 
Elton Carvalho