gromacs / manual Goto Github PK

i am using CentOs8 all dependencies like updated cmake, gcc, g++ fftw3 and cuda installed . path exported properly. but during installation of gromacs 2021.3 i faced following error. which i am unable to figure out.

[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/integrator.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/logging.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/md.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/multisim.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o
[ 97%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/mdmodules.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/options.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/optionsection.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/options/treesupport.cpp.o
[ 98%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/restraint/manager.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mimic/MimicCommunicator.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mimic/MimicUtils.cpp.o
[100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o
[100%] Linking CXX shared library ../../lib/libgromacs.so
[100%] Built target libgromacs
[100%] Building CXX object src/programs/CMakeFiles/gmx.dir/gmx.cpp.o
[100%] Building CXX object src/programs/CMakeFiles/gmx.dir/legacymodules.cpp.o
[100%] Building CXX object share/template/CMakeFiles/template.dir/template.cpp.o
[100%] Linking CXX executable ../../bin/gmx
../../lib/libgromacs.so.4.0.0: undefined reference to srot_' ../../lib/libgromacs.so.4.0.0: undefined reference to strsm_'
collect2: error: ld returned 1 exit status
make[2]: *** [src/programs/CMakeFiles/gmx.dir/build.make:118: bin/gmx] Error 1
make[1]: *** [CMakeFiles/Makefile2:4758: src/programs/CMakeFiles/gmx.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs....
[100%] Linking CXX executable ../../bin/template
../../lib/libgromacs.so.4.0.0: undefined reference to srot_' ../../lib/libgromacs.so.4.0.0: undefined reference to strsm_'
collect2: error: ld returned 1 exit status
make[2]: *** [share/template/CMakeFiles/template.dir/build.make:98: bin/template] Error 1
make[1]: *** [CMakeFiles/Makefile2:3319: share/template/CMakeFiles/template.dir/all] Error 2
make: *** [Makefile:166: all] Error 2
[pharmacoinformatics@localhost build]$

kindly help.I went through the manual as per instruction i tried everything. Requesting you kindly guide me to figure out my error.