I am using AMBER10 below is the config.h file
platform: X86_64
compiler: ifort
mpi: mpich2
not using netcdf as default
*./configure linux64_opteron ifort mpich2 pubfft nobintraj* (this is the one
i tried now)
MATH_DEFINES =
MATH_LIBS =
IFORT_RPATH =
/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/mkl/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/mkl/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/mkl/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/mkl/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/mpirt/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/mpirt/lib/intel64:/home/p_kumar/intel/composerxe-2011.5.220/mpirt/lib/ia32:/home/p_kumar/intel/composerxe-2011.5.220/mpirt/lib/intel64
FFT_DEFINES = -DPUBFFT
FFT_INCLUDE =
FFT_LIBS =
NETCDF_HOME =
NETCDF_DEFINES =
NETCDF_MOD =
NETCDF_LIBS =
MPI_HOME = /opt/mpich2/gnu
MPI_DEFINES = -DMPI -DSLOW_NONBLOCKING_MPI
MPI_INCLUDE = -I$(MPI_HOME)/include
MPI_LIBDIR = $(MPI_HOME)/lib
MPI_LIBS =
DIRFRC_DEFINES = -DDIRFRC_EFS -DDIRFRC_NOVEC
CPP = /lib/cpp
CPPFLAGS = -traditional -P
F90_DEFINES = -DFFTLOADBAL_2PROC
F90 = mpif90
MODULE_SUFFIX = mod
F90FLAGS = -c -auto
F90_OPT_DBG = -g -traceback
F90_OPT_LO = -O0
F90_OPT_MED = -O2
F90_OPT_HI = -xW -ip -O3
CC = gcc
CFLAGS =
LOAD = mpif90
LOADFLAGS =
LOADLIBS = -limf -lsvml -Wl,-rpath=$(IFORT_RPATH)
Error Message
/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64/libsvml.so:
undefined reference to `__intel_cpu_indicator_init'
/home/p_kumar/intel/composerxe-2011.5.220/compiler/lib/intel64/libsvml.so:
undefined reference to `__intel_cpu_indicator'
collect2: ld returned 1 exit status
make[1]: *** [pmemd] Error 1
make[1]: Leaving directory `/home/p_kumar/amber10/src/pmemd/src'
make: *** [all] Error 2
On Mon, Aug 8, 2011 at 5:45 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Mon, Aug 08, 2011, hari krishna wrote:
> >
> > *./configure linux64_opteron gfortran mpi pubfft bintraj *
>
> This looks like a very old version of Amber; what version is it?
>
> > ---
> > *make *
> >
> > *end module gbl_constants_mod
> > gbl_constants.f90
> > make[1]: gbl_constants.f90: Command not found
>
> We need more details of the error message. Also, does sander compile
> correctly? It's probably also good to post the config.h file that is
> created
> by configure.
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Aug 08 2011 - 06:00:03 PDT
