gapw problems??

QC ganglo... at gmail.com
Mon Dec 24 00:40:08 CET 2012


I have compiled the cp2k-2.3 (rev. 12343) version and latest trunk version 
with below options, but the related gapw tests did not finished correctly. 

MKL:  10.2.7.041
IFORT: 12.1.5

---
CC       =  cc
CPP      =
FC       =  ifort
LD       =  ifort
AR       =  ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3
CPPFLAGS = -C $(DFLAGS)
FCFLAGS  =  $(DFLAGS) -O2 -fpp -free -I$(MKL_INC) -I$(FFT_INC)
LDFLAGS  =  $(FCFLAGS)
LIBS     = -L$(MKL_LIB) -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core 
-liomp5 -lpthread -lm $(FFT_LIB)/libfftw3.a

OBJECTS_ARCHITECTURE = machine_intel.o

graphcon.o: graphcon.F
        $(FC) -c $(FCFLAGS) $<
------

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
cp2k.sopt          00000000008C774A  Unknown               Unknown  Unknown
cp2k.sopt          00000000008B0221  Unknown               Unknown  Unknown
cp2k.sopt          0000000000783E54  Unknown               Unknown  Unknown
cp2k.sopt          0000000000781054  Unknown               Unknown  Unknown
cp2k.sopt          0000000000865571  Unknown               Unknown  Unknown
cp2k.sopt          0000000000863869  Unknown               Unknown  Unknown
cp2k.sopt          00000000007328C5  Unknown               Unknown  Unknown
cp2k.sopt          0000000000731A47  Unknown               Unknown  Unknown
cp2k.sopt          000000000074A0A2  Unknown               Unknown  Unknown
cp2k.sopt          00000000004A3E1D  Unknown               Unknown  Unknown
cp2k.sopt          000000000040C0AD  Unknown               Unknown  Unknown
cp2k.sopt          000000000040A854  Unknown               Unknown  Unknown
cp2k.sopt          0000000000407572  Unknown               Unknown  Unknown
cp2k.sopt          00000000004063DC  Unknown               Unknown  Unknown
libc.so.6          00002ADED7C85455  Unknown               Unknown  Unknown
cp2k.sopt          00000000004062B9  Unknown               Unknown  Unknown



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