[gmx-users] Gromacs Install problem

[xuan Zhang]

Hi，

For now, I have added the compiler to cmake and it works. But in the
*make *step,
the errors were shown as below. Thank you very much.

Best regards,
Xuan

src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make:79: recipe for target
'src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o'
failed
make[2]: ***
[src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o]
Error 1
CMakeFiles/Makefile2:4229: recipe for target
'src/gromacs/CMakeFiles/lmfit_objlib.dir/all' failed
make[1]: *** [src/gromacs/CMakeFiles/lmfit_objlib.dir/all] Error 2
Makefile:179: recipe for target 'all' failed
make: *** [all] Error 2
liy0i at kw60520:/data16/XUAN/gromacs-2020.1/build$ ./configure
-bash: ./configure: No such file or directory



On Sat, Mar 14, 2020 at 1:53 AM xuan Zhang <zhangxuan7788 at gmail.com> wrote:

> Hi,
>
> When I install the Gromacs on Linux, the cmake occurs error like below. I
> am a newer on this software. I appreciate very much that you can help me.
>
> Best regards,
> Xuan
>
> **********/gromacs-2020.1/build$ cmake .. -DGMX_BUILD_OWN_FFTW=ON
> -DREGRESSIONTEST_DOWNLOAD=ON
> CMake Error at cmake/FindLibStdCpp.cmake:162 (message):
>   GROMACS requires C++14, but a test of such functionality in the C++
>   standard library failed to compile.  The g++ found at /usr/bin/g++ had a
>   suitable version, so ;something else must be the problem
> Call Stack (most recent call first):
>   CMakeLists.txt:69 (find_package)
>
>
> -- Configuring incomplete, errors occurred!
> See also "/data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeOutput.log".
> See also "/data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeError.log".
>
>
> *#cmakeerror.log as below:*
>
> Performing C++ SOURCE FILE Test CXX14_COMPILES failed with the following
> output:
> Change Dir: /data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp
>
> Run Build Command(s):/usr/bin/make cmTC_203a2/fast && /usr/bin/make -f
> CMakeFiles/cmTC_203a2.dir/build.make CMakeFiles/cmTC_203a2.dir/build
> make[1]: Entering directory
> '/data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp'
> Building CXX object CMakeFiles/cmTC_203a2.dir/src.cxx.o
> /sw/workstations/apps/linux-ubuntu16.04-x86_64/openmpi/3.1.1/intel-18.0.1/lqdls6jj3oauixvl4rbbpnljxr6sd6zs/bin/mpic++
>   -gcc-name=/usr/bin/g++ -DCXX14_COMPILES   -std=c++14 -o
> CMakeFiles/cmTC_203a2.dir/src.cxx.o -c
> /data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp/src.cxx
> /data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp/src.cxx(2): error:
> namespace "std" has no member "cbegin"
>   int main() { int a[2]; std::cbegin(a); }
>                               ^
>
> compilation aborted for
> /data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp/src.cxx (code 2)
> CMakeFiles/cmTC_203a2.dir/build.make:82: recipe for target
> 'CMakeFiles/cmTC_203a2.dir/src.cxx.o' failed
> make[1]: *** [CMakeFiles/cmTC_203a2.dir/src.cxx.o] Error 2
> make[1]: Leaving directory
> '/data16/XUAN/gromacs-2020.1/build/CMakeFiles/CMakeTmp'
> Makefile:138: recipe for target 'cmTC_203a2/fast' failed
> make: *** [cmTC_203a2/fast] Error 2
>
>
> Source file was:
> #include <iterator>
> int main() { int a[2]; std::cbegin(a); }
>
> --
> *Xuan Zhang*
>
> PhD  Candidate
> China University of Petroleum(East China)
> School of Petroleum Engineering
> No.66 Changjiang West Road, Qingdao
>
>
> Visiting scholar (2017.12-2018.12)
> The University of Texas at Austin
> Cockrell School of Engineering
> McKetta Department of Chemical Engineering
> 200 E Dean Keeton St. Stop C0400
> CPE 5.428
>
> *(+86) 15563945098 <(571)%20346-9770>* | zhangxuan7788 at gmail.com
>


-- 
*Xuan Zhang*

PhD  Candidate
China University of Petroleum(East China)
School of Petroleum Engineering
No.66 Changjiang West Road, Qingdao


Visiting scholar (2017.12-2018.12)
The University of Texas at Austin
Cockrell School of Engineering
McKetta Department of Chemical Engineering
200 E Dean Keeton St. Stop C0400
CPE 5.428

*(+86) 15563945098 <(571)%20346-9770>* | zhangxuan7788 at gmail.com