[Dock-fans] dock6 parallel on 64-bit system
Mary Ellen Fitzpatrick
mfitzpat at bu.edu
Mon Dec 22 08:19:34 PST 2008
Hi,
Has anyone had success installing dock6 parallel on a 64-bit system? I
have successfully been able to install dock6 serial on the 64-bit
system with the -m32 compiler flag, but not parallel. My config.h and
build errors for dock6 parallel on the 64-bit system are below.
If I install dock6 parallel on the 64-bit system without the -m32
compiler flag, it installs without a problem. But I am unclear if the
results from the test suite are accurate.
Trying to install dock6 with gnu.parallel on my 64-bit Centos5 cluster.
I have compiled dock6 with the -m32 compiler and gnu.parallel. my
config.h file:
./configure gnu.parallel
config.h
CC= gcc -m32
CXX= g++ -m32
CFLAGS= -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK
-DMPICH_SKIP_MPICXX -I$(MPICH_HOME)/i
nclude -O2
FC= g77 -m32
FFLAGS= -O2 -fno-automatic -fno-second-underscore
LOAD= $(MPICH_HOME)/bin/mpicxx
LIBS= -lm
SFX= .mpi
userA:~/dock6-32/install$ echo $MPICH_HOME
/usr/local/mpich2mef
when I run make all, the build fails:
utils.o: In function `std::vector<PARAMETER, std::allocator<PARAMETER>
>::_M_insert_aux(__gnu_cxx::__normal_iterator<PARAMETER*,
std::vector<PARAMETER, std::allocator<PARAMETER> > >, PARAMETER const&)':
utils.cpp:(.text._ZNSt6vectorI9PARAMETERSaIS0_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS0_S2_EERKS0_[std::vector<PARAMETER,
std::allocator<PARAMETER>
>::_M_insert_aux(__gnu_cxx::__normal_iterator<PARAMETER*,
std::vector<PARAMETER, std::allocator<PARAMETER> > >, PARAMETER
const&)]+0x164): undefined reference to `operator new(unsigned int)'
collect2: ld returned 1 exit status
make[2]: *** [dock6.mpi] Error 1
--
Thanks
Mary Ellen
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