[gmx-users] Gromacs Install problem

[Alexander Tzanov]

For that error you may use normal and better Intel compiler or gcc above 6.3.

The 2020.1 compiles well after correcting stupid bug in multidimensional array routine and with use of Intel 19 and gcc above 6. I use 7.3

Your compiler is too old to support C++14 but there other problem as well

Alex




On Mar 13, 2020 1:54 PM, 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
--
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.