Gcc 5.3.0

drrahul · 04-18-2017, 11:08 PM

I get this error

CC=gcc53 CXX=g++53 cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON

CMake Error at cmake/gmxTestCXX11.cmake:113 (message):
This version of GROMACS requires a C++11 compiler. Please use a newer
compiler or use the GROMACS 5.1.x release. See the installation guide for
details.
Call Stack (most recent call first):
CMakeLists.txt:164 (gmx_test_cxx11)

-- Configuring incomplete, errors occurred!
See also "/gromacs-2016.1/CMakeFiles/CMakeOutput.log".
See also "/gromacs-2016.1/CMakeFiles/CMakeError.log"

knudfl · 04-19-2017, 03:33 AM

Re #31.

Please test the new compilers :
$ rpm -qa gcc53-c++
... The reply should be gcc53-c++-5.3.0-1.el6.x86_64
$ which gcc53
$ which g++53
$ gcc53 -v
$ g++53 -v

And you can go back and read all answers until you get things right.
... Then hopefully you will get "CXX11_SUPPORTED - Success" :

Code:

gromacs-2016.3/build $ CC=gcc53 CXX=g++53 cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
-- Performing Test CXXFLAG_STD_CXX0X                                
-- Performing Test CXXFLAG_STD_CXX0X - Success                      
-- Performing Test CXX11_SUPPORTED                                  
-- Performing Test CXX11_SUPPORTED - Success                        
-- Performing Test CXX11_STDLIB_PRESENT                             
-- Performing Test CXX11_STDLIB_PRESENT - Success                   
-- Looking for NVIDIA GPUs present in the system                    
-- Number of NVIDIA GPUs detected: 1

drrahul · 04-19-2017, 06:14 AM

[root@mqml build]# CC=gcc53 CXX=g++53 cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
CMake Error at cmake/gmxTestCXX11.cmake:113 (message):
This version of GROMACS requires a C++11 compiler. Please use a newer
compiler or use the GROMACS 5.1.x release. See the installation guide for
details.
Call Stack (most recent call first):
CMakeLists.txt:164 (gmx_test_cxx11)

Still I get the same error

knudfl · 04-19-2017, 10:31 AM

Re #33.

REPEAT from #32 :
Please test the new compilers :
$ rpm -qa gcc53-c++
$ which gcc53
$ which g++53
$ gcc53 -v
$ g++53 -v

? What is the outputs from these five commands ?

drrahul · 04-19-2017, 11:17 AM

[root@mqml Desktop]# rpm -qa gcc53-c++
gcc53-c++-5.3.0-1.el6.x86_64
[root@mqml Desktop]# which gcc53
/usr/bin/gcc53
[root@mqml Desktop]# which g++53
/usr/bin/g++53
[root@mqml Desktop]# gcc53 -v
Using built-in specs.
COLLECT_GCC=gcc53
COLLECT_LTO_WRAPPER=/usr/local/gcc53/libexec/gcc/x86_64-unknown-linux-gnu/5.3.0/lto-wrapper
Target: x86_64-unknown-linux-gnu
Configured with: ../gcc-5.3.0/configure --prefix=/usr/local/gcc53 --program-suffix=53 --enable-languages=c,c++ --with-system-zlib --disable-multilib
Thread model: posix
gcc version 5.3.0 (GCC)
[root@mqml Desktop]# g++53 -v
Using built-in specs.
COLLECT_GCC=g++53
COLLECT_LTO_WRAPPER=/usr/local/gcc53/libexec/gcc/x86_64-unknown-linux-gnu/5.3.0/lto-wrapper
Target: x86_64-unknown-linux-gnu
Configured with: ../gcc-5.3.0/configure --prefix=/usr/local/gcc53 --program-suffix=53 --enable-languages=c,c++ --with-system-zlib --disable-multilib
Thread model: posix
gcc version 5.3.0 (GCC)
[root@mqml Desktop]#

knudfl · 04-19-2017, 02:08 PM

Re #35.

gromacs-2016.x is a little different from other cmake builds.
With some software, you will have to delete CMakeCache.txt before re-configuring.
But ``gromacs´´ saves the test result in some other files, which will not be replaced when re-configuring.

So once run with gcc-4.4.7, g++-4.4.7 : Delete all files in the build/ folder.
Then gcc53, g++53 will be recognized, when using $ CC=gcc53 CXX=g++53 cmake .. [options]

-

drrahul · 04-20-2017, 01:41 AM

Dear knudfl

That was really a good guidance.
Thank you so much. I have solved the problem. So much thankful to You

drrahul · 05-01-2017, 06:57 AM

Dear Knudfl

I am struck again with a different problem in the installation of Gromacs.

For make check command, I am getting so many failed test.

What Should be done?