error during compilation of cp2k version 2.4

satya satyanaray... at gmail.com
Mon May 6 10:59:58 CEST 2013


Hi,
  I am installing parallel version of CP2K  version 2.4 using below 
 Linux_x86-64-intel.popt 

INTEL_INC=/opt/intel/cmkl/10.2.2.025/include
INTEL_LIB=/opt/intel/cmkl/10.2.2.025/lib/em64t/
FFT_INC=/opt/intel/cmkl/10.2.2.025/include/fftw/

CC       = icc
CPP      = 
FC       = mpiifort 
LD       = mpiifort 
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
-D__FFTW3 -D__FFTMKL 
CPPFLAGS = 
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I$(FFT_INC) 
-I/opt/intel/impi/3.2.2.006/include -O2 -xW -heap-arrays 64 -funroll-loops 
-fpp -free
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -heap-arrays 64 -fpp -free -msse2
LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
LIBS     = -I$(INTEL_INC) -L$(INTEL_LIB) -I$(FFT_INC)  -lmkl_scalapack_lp64 
-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 \
  -lmkl_sequential -lmkl_core -lguide -lpthread -lmkl_em64t   
-lfftw3xf_intel 
             
#          $(INTEL_LIB)/libscalapack.a \
#          $(INTEL_LIB)/libblacs_init.a \
#          $(INTEL_LIB)/libblacs.a \
#          $(INTEL_LIB)/libacml.a\
#          $(INTEL_LIB)/libacml_mv.a \
#          $(INTEL_LIB)/libfftw3.a
    
OBJECTS_ARCHITECTURE = machine_intel.o


graphcon.o: graphcon.F
$(FC) -c $(FCFLAGS2) $<

During compilations, I came across these error 

mpiifort  -c -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
-D__FFTW3 -D__FFTMKL  -I/opt/intel/cmkl/10.2.2.025/include 
-I/opt/intel/cmkl/10.2.2.025/include/fftw/ 
-I/opt/intel/impi/3.2.2.006/include -O2 -xW -heap-arrays 64 -funroll-loops 
-fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel\"" 
-D__COMPILE_DATE="\"Mon May  6 12:40:16 IST 2013\"" 
-D__COMPILE_HOST="\"gg-blr.tfg\"" -D__COMPILE_REVISION="\"\"" 
-D__SHORT_FILE__="\"ma_topology.F\"" 
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(37): 
error #7002: Error in opening the compiled module file.  Check INCLUDE 
paths.   [MATHLIB]
 USE mathlib,                      ONLY: gcd
-----^
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(37): 
error #6580: Name in only-list does not exist.   [GCD]
 USE mathlib,                      ONLY: gcd
-----------------------------------------^
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(724): 
error #6406: Conflicting attributes or multiple declaration of name.   [GCD]
  IF (gcd(ipe,jpe)>=gcd_max) THEN
------^
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(727): 
error #6406: Conflicting attributes or multiple declaration of name.   [GCD]
    gcd_max=gcd(ipe,jpe)
------------^
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(792): 
error #6406: Conflicting attributes or multiple declaration of name.   [GCD]
  IF (gcd(ipe,jpe)>=gcd_max) THEN
------^
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F(795): 
error #6406: Conflicting attributes or multiple declaration of name.   [GCD]
    gcd_max=gcd(ipe,jpe)
------------^
compilation aborted for 
/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/makefiles/../src/arch_lib/ma_topology.F 
(code 1)
make[1]: *** [ma_topology.o] Error 1
make[1]: Leaving directory 
`/home/others/jncasr/software/cp2k-4dec12/cp2k-code/cp2k/obj/Linux-x86-64-intel/popt'
make: *** [build] Error 2

Can anybody explain and give possible suggestion regarding this error.

Thank you.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20130506/2e1075ee/attachment.html>


More information about the CP2K-user mailing list