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Make sopt/popt aliases for ssmp/psmp with OMP_NUM_THREADS=1

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Ole Schütt 2020-06-11 11:38:35 +02:00 • committed by Ole Schütt
parent 1e4446c2b1
commit 2902a7cc55
2 changed files with 18 additions and 2 deletions
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11
Makefile
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@ -126,9 +126,18 @@ $(EXE_NAMES) all toolversions extversions extclean libcp2k cp2k_shell exts $(EXT
# stage 2: Store the version target in $(ONEVERSION),
# Call make recursively with $(ORIG_TARGET) as target.
$(VERSION) :
$(filter-out sopt, popt, $(VERSION)) :
@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION=$@
sopt:
@+echo "Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1."
@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION="ssmp"
cd $(EXEDIR); ln -sf cp2k.ssmp cp2k.sopt
popt:
@+echo "Version popt is now an alias for psmp with OMP_NUM_THREADS=1."
@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION="psmp"
cd $(EXEDIR); ln -sf cp2k.psmp cp2k.popt
else
# stage 3: Include arch-file, create dirs, and run makedep.py for given $(ONEVERSION).

9
src/start/cp2k.F
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@ -39,6 +39,7 @@
! **************************************************************************************************
PROGRAM cp2k
USE OMP_LIB, ONLY: omp_set_num_threads
USE cp2k_info, ONLY: compile_revision,&
cp2k_flags,&
cp2k_version,&
@ -98,7 +99,7 @@ PROGRAM cp2k
ALLOCATE (initial_variables(2, 1:0))
! get command and strip path
CALL GET_COMMAND(command, status=ierr)
CALL GET_COMMAND_ARGUMENT(0, command, status=ierr)
CPASSERT(ierr == 0)
l = LEN_TRIM(command)
DO i = l, 1, -1
@ -116,6 +117,12 @@ PROGRAM cp2k
command_line_error = .TRUE.
END IF
! check if binary was invoked as sopt or popt alias
l = LEN_TRIM(command)
IF (command(l - 4:l) == ".sopt" .OR. command(l - 4:l) == ".popt") THEN
CALL omp_set_num_threads(1)
ENDIF
i_arg = 0
arg_loop: DO WHILE (i_arg < COMMAND_ARGUMENT_COUNT())
i_arg = i_arg + 1