error during compilation of cp2k version 2.4
satya
satyanaray... at gmail.com
Tue May 7 09:47:51 UTC 2013
Hi,
I am installing parallel version of CP2K version 2.4 using below
Linux_x86-64-intel.popt
platform : Linux gg-blr.tfg 2.6.18-53.1.4.el5 #1 SMP Thu Nov 29 12:18:58
EST 2007 x86_64 x86_64 x86_64 GNU/Linux
ifort version: ifort (IFORT) 11.0 , Copyright (C) 1985-2008 Intel
Corporation
mpi version : Intel(R) MPI Library for Linux, 64-bit applications, Version
3.2.2 Build 20090827
Copyright (C) 2003-2009 Intel Corporation. All rights reserved.
INTEL_INC=/opt/intel/cmkl/10.2.2.025/include <http://10.2.2.21/include>
INTEL_LIB=/opt/intel/cmkl/10.2.2.025/lib/em64t/<http://10.2.2.21/lib/em64t/>
FFT_INC=/opt/intel/cmkl/10.2.2.025/include/fftw/<http://10.2.2.21/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 <http://3.2.2.6/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<http://10.2.2.21/include>
-I/opt/intel/cmkl/10.2.2.025/include/fftw/ <http://10.2.2.21/include/fftw/>
-I/opt/intel/impi/3.2.2.006/include <http://3.2.2.6/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.
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