[gmx-users] gromacs 2018 compilation problem with stdlib
manoelvfb at gmail.com
Sat Jul 14 04:58:14 CEST 2018
I'm trying to compile gromacs 2018.2 and I would like to use intel
compilers along with nvidia gpu graphic (GTX 1060) card in a desktop
computer with a intel i5 quad-core cpu (the only purpose of it is for
learning), in order to do so I was first following the suggested
procedures at the INSTALL file distributed along with gromacs, and got
the command bellow:
cmake ../ -DGMX_FFT_LIBRARY="mkl" -DMKL_LIBRARIES="-Wl,--start-group
/opt/intel17/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp
-lpthread -lm -ldl" -DMKL_INCLUDE_DIR="/opt/intel17/mkl/include"
-DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILER=icc -DGMX_CXX_FLAGS="-g -O2
It worths to say that the OS under current operation is Lubuntu (16.04)
and it has both gcc-5.4.1 and g++-5.4.1. Everything goes smoothly
without problems, however I noticed a std failure after issuing the
"make" command, it says:
error: namespace "std" has no member "_Exit"
warning #1628: function declared with "noreturn" does retu
The same problem can be seen if I start from a very simple "cmake ../"
and "make". What am I doing wrong? Is there some environment preparation
step to be done prior to everything else, and what should it be?
I must say that I'm not an expert on compiling things up and I got
stuck. Could someone help me out? It would be of great help to know some
tips from you guys.
Thank you all.
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