I meet a trouble in compiling OpenMP version of cp2k.

朱红 zhuho... at gmail.com
Wed Dec 14 16:16:04 CET 2011


dear all.
When I want to compile a OpenMP version of cp2k, I got a error for
source code.

/export/home/zhuh/cp2k/makefiles/../src/dbcsr_lib/dbcsr_work_operations.F(1554):
error #7926: Form of assignment statement following !$OMP ATOMIC
directive is improper. [WM]
new_nze = new_nze + wm%datasize
------------------------^

Who can give me some suggestion?
Here is my Linux-x86-64-intel.ssmp file.

INTEL_INC=/usr/local/include
INTEL_LIB=/opt/acml4.4.0/ifort64/lib

CC = cc
CPP =
FC = ifort -FR -openmp -O0
LD = ifort -FR -openmp -O0
AR = ar -r
DFLAGS = -D__INTEL -D__FFTSG -D__FFTW3 -D__FFTACML
CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
FCFLAGS = $(DFLAGS) -I$(INTEL_INC)
LDFLAGS = $(FCFLAGS)
LIBS = $(INTEL_LIB)/libacml.a\
$(INTEL_LIB)/libacml_mv.a \
-lfftw3

OBJECTS_ARCHITECTURE = machine_intel.o

Best wishes for all from hefei.


-- 
  Zhu Hong
  Department of Polymer Science and Engineering
  University of Science and Technology of China
  Hefei, Anhui 230026, P.R.China

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