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I had the same problem, this is due to the wrong execution of the program.
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LIBXSMM = /apps/lib/libxsmm/1.9.0/e/gnu
LIBXC = /apps/lib/libxc/4.0.4/e5/gnu
LIBINT = /apps/lib/libint/1.1.4/gnu
LIBELPA = /apps/lib/elpa/2017.05.002/e5/gnu
CC = cc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
CPPFLAGS =
DFLAGS = -D__MKL -D__FFTW3 -D__HAS_NO_SHARED_GLIBC -D__LIBXSMM \
-D__parallel -D__SCALAPACK \
-D__ELPA=201705 \
-D__LIBXC \
-D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 \
-D__MAX_CONTR=4
CFLAGS = $(DFLAGS) -O2
FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -std=f2008
#FCFLAGS = $(DFLAGS) -O2 -xW -heap-arrays 64 -funroll-loops -fpp -free
#FCFLAGS += -fp-model precise
#FCFLAGS += -g -traceback
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(LIBXSMM)/include
FCFLAGS += -I$(LIBXC)/include
FCFLAGS += -I$(LIBELPA)/include/elpa-2017.05.002/modules -I$(LIBELPA)/include/elpa-2017.05.002/elpa
LDFLAGS = $(FCFLAGS)
LDFLAGS_C = $(FCFLAGS)
LIBS = -L$(LIBELPA)/lib -lelpa
MKL_LIB = ${MKLROOT}/lib/intel64
LIBS += $(MKL_LIB)/libmkl_scalapack_lp64.a -Wl,--start-group \
$(MKL_LIB)/libmkl_intel_lp64.a ${MKL_LIB}/libmkl_sequential.a \
$(MKL_LIB)/libmkl_core.a \
${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group \
-lpthread -lm
LIBS += -L$(LIBXSMM)/lib -lxsmmf -lxsmm -ldl
LIBS += -L$(LIBXC)/lib -lxcf03 -lxc
LIBS += -L$(LIBINT)/lib -lderiv -lint -lstdc++
# Required due to memory leak that occurs if high optimisations are used
mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F
$(FC) -c $(subst O2,O0,$(FCFLAGS)) $<
please share your running command here and details of your system.
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