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
             -D__parallel -D__BLACS -D__SCALAPACK
FCFLAGS    = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
             -ftree-vectorize -funroll-loops\
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 
If anybody can help me to compile cp2k and to solve the runtime fail error, 
then I will be thankful.

koushik chatterjee
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141112/290d2a0b/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: regtest.out
Type: application/octet-stream
Size: 303656 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141112/290d2a0b/attachment.obj>

More information about the CP2K-user mailing list