cp2k-2_5 regtesting: 27 tests failed as RUNTIME FAIL.
Koushik Chatterjee
koushikch... at gmail.com
Wed Nov 12 23:48:07 UTC 2014
Hello Sir,
I have compiled "Linux-x86-64-gfortran.popt". After compilation, I run the
regtest, but 27 tests are failed as RUNTIME FAIL. Can anybody help me to
compile properly so that I can solve the runtime fail error. I am attaching
my regtests output to check the all test results. Here is my ARCH file:
*******************************************************
CC = cc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
LIBINT_LIB = koushik/LIB/libint-1.1.4/lib
LIBINT_INC = koushik/LIB/libint-1.1.4/include
LIBXC_LIB = koushik/LIB/libxc-2.0.1/lib
LIBXC_INC =koushik/LIB/libxc-2.0.1/include
MKL_LIB = /opt/intel/composer_xe_2013.2.146/mkl/lib/intel64
MKL_INC = /opt/intel/composer_xe_2013.2.146/mkl/include
DFLAGS = -D__GFORTRAN -D__MKL -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC2\
-D__parallel -D__BLACS -D__SCALAPACK
CPPFLAGS =
FCFLAGS = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
-ftree-vectorize -funroll-loops\
-mtune=native
LDFLAGS = $(FCFLAGS) -static-libgfortran -L$(LIBINT_LIB) -L$(LIBINT_INC)\
-L$(MKL_LIB) -L$(MKL_INC) -L$(LIBXC_LIB) -L$(LIBXC_LIB)
LIBS = -lderiv -lint -lstdc++ -lfftw3 -lmkl_gf_lp64
-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_sequential -lmkl_core
-lxc
**********************************************************
If anybody can help me to compile cp2k and to solve the runtime fail error,
then I will be thankful.
Regards,
koushik chatterjee
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