I am so sorry, I forgot using the .txt files.


I set Environment Variable of gcc and cmake

export PATH=./:~/GCC-7.3.0/bin/:$PATH
export PATH=./:~/cmake-3.13.4-Linux-x86_64/bin/:$PATH


so

gcc --version : 7.7.0
cmake --version : 3.13.4

I followed "charmm/doc/cmake.info"
Configuration:: The First Step

$ mkdir charmm-build
$ ls
charmm charmm-build

From the new build directory, invoke the configure script with the desired
options.

$ cd charmm-build
$ ../charmm/configure ...
-> no occurred error in this step.


Compilation:: The Second Step
$ make -j3
-> occurred error like this..
.
.
.
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/lambdadyn.F90.o
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/rmsdyn.F90.o
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/replica.F90.o
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/umb.F90.o
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/secstr.F90.o
[ 83%] Building Fortran object CMakeFiles/charmm_fortran.dir/images.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/upimag.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/corman2.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/genpsf.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/cmds.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/eadumb.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/eval.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/nbndgcm.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/nbndgc.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/colfft_kernel.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/ancsol.F90.o
[ 84%] Building Fortran object CMakeFiles/charmm_fortran.dir/rdfsol.F90.o
/export/home/sohyeon/charmm/source/nbonds/colfft_kernel_precision.inc:475.6:
Included at /export/home/sohyeon/charmm-build/colfft_kernel.F90:111:

!$omp end atomic
1
Error: Unclassifiable OpenMP directive at (1)
/export/home/sohyeon/charmm/source/nbonds/colfft_kernel_precision.inc:475.6:
Included at /export/home/sohyeon/charmm-build/colfft_kernel.F90:117:

!$omp end atomic
1
Error: Unclassifiable OpenMP directive at (1)
make[2]: *** [CMakeFiles/charmm_fortran.dir/colfft_kernel.F90.o] error 1
make[2]: *** 끝나지 않은 작업을 기다리고 있습니다....
make[1]: *** [CMakeFiles/charmm_fortran.dir/all] error 2
make: *** [all] error 2


So I tried to again
[sohyeon@theochem11 charmm-build]$ make -j3
[ 1%] Built target qchem
[ 1%] Built target charmm_c
[ 1%] Built target charmm_cxx
[ 1%] Building Fortran object CMakeFiles/charmm_fortran.dir/primsh.F90.o
[ 1%] Building Fortran object CMakeFiles/charmm_fortran.dir/colfft_kernel.F90.o
[ 1%] Building Fortran object CMakeFiles/charmm_fortran.dir/modpsf.F90.o
/export/home/sohyeon/charmm/source/nbonds/colfft_kernel_precision.inc:475.6:
Included at /export/home/sohyeon/charmm-build/colfft_kernel.F90:111:

!$omp end atomic
1
Error: Unclassifiable OpenMP directive at (1)
/export/home/sohyeon/charmm/source/nbonds/colfft_kernel_precision.inc:475.6:
Included at /export/home/sohyeon/charmm-build/colfft_kernel.F90:117:

!$omp end atomic
1
Error: Unclassifiable OpenMP directive at (1)
make[2]: *** [CMakeFiles/charmm_fortran.dir/colfft_kernel.F90.o] error 1
make[2]: *** 끝나지 않은 작업을 기다리고 있습니다....
make[1]: *** [CMakeFiles/charmm_fortran.dir/all] error 2
make: *** [all] error 2


How do I solve it?

Last edited by sohyeon; 11/26/19 11:14 AM.