compile problem with mvapich

[shanghui]

 Hello Everyone:

I 've been trying to compile cp2k for a few days on our clusters, I have
compiled the sopt version ,and it works well . But when I began to compile
the popt version, I used the intel  10.1.015, mkl 10.0.1.014 and mpif90 in
mvapich-1.0.0  ( the CPU is Xeon E5420) , I have compiled with  'make
ARCH=Linux-x86-64-intel VERSION=popt' ,and it give me a exe---cp2k.popt. The
problem is: when I run it with :mpirun -np 2  -machinefile mech
/share/apps/cp2k_parallel  H2O.inp ,it give me the error message as follows
:

"
 Number of independent orbital functions:        57

  Extrapolation method: initial_guess
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source

Stack trace terminated abnormally.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
libintlc.so.5      00002AAAAB880FDA  Unknown               Unknown  Unknown
libintlc.so.5      00002AAAAB8801DA  Unknown               Unknown  Unknown
libifcore.so.5     00002AAAAB14455A  Unknown               Unknown  Unknown
libifcore.so.5     00002AAAAB0CF978  Unknown               Unknown  Unknown
libifcore.so.5     00002AAAAB0DA69C  Unknown               Unknown  Unknown
libpthread.so.0    00000038DC60DE70  Unknown               Unknown  Unknown
libc.so.6          00000038DBE67274  Unknown               Unknown  Unknown
libc.so.6          00000038DBE4BF03  Unknown               Unknown  Unknown
libintlc.so.5      00002AAAAB880006  Unknown               Unknown  Unknown
libintlc.so.5      00002AAAAB8810CC  Unknown               Unknown  Unknown

Stack trace terminated abnormally.
mpispawn.c:303 Unexpected exit status

Child exited abnormally!
Killing remote processes...forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line
Source
libpthread.so.0    0000003D1F20DD4D  Unknown               Unknown  Unknown
cp2k_parallel      000000000170C542  Unknown               Unknown  Unknown
libpthread.so.0    0000003D1F2062F7  Unknown               Unknown  Unknown
libc.so.6          0000003D1EACE85D  Unknown               Unknown  Unknown
DONE

"

I have used this mkl'lib and mvapich-1.0.0 to compiled siesta_parallel ,and
it works well. I do not know why they can not work for cp2k_popt.

and this is my popt arch file:
"CC       = cc
CPP      = cpp
FC       = mpif90  -FR
LD       = mpif90
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK
-D__FFTW3  -D__LIBINT
CPPFLAGS = -traditional -C $(DFLAGS) -P
FCFLAGS  = $(DFLAGS)  -O1
LDFLAGS  = $(FCFLAGS)
-L/opt/intel/mkl/10.0.1.014/lib/em64t-L/opt/intel/fce/10.1.015/lib \
           -L/usr/mpi/intel/mvapich-1.0.0/lib/
LIBS     = /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_scalapack_lp64.a  \
           /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_blacs_lp64.a  \
           /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_lapack.a  \
           /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a  \
          /opt/intel/fce/10.1.015/lib/libguide.a -lpthread -lsvml \
          /usr/local/lib/libfftw3.a \
          /home/shanghui/cp2k/libint_tools/libint_cpp_wrapper.o\
          /home/shanghui/libint-1.1.2/lib/libderiv.a \
           /home/shanghui/libint-1.1.2/lib/libint.a \
          -lstdc++


OBJECTS_ARCHITECTURE = machine_intel.o
"

Can you give me some suggestions? Thank you so much.



                   shanghui
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