currently i dont have intel MPI library can i use gfortran as a compiler
On Mon, Aug 8, 2011 at 6:45 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
> Your MPI_HOME is pointing to a gnu compilation, but you are attempting to
> compile with intel compilers. For ./configure ifort you should use an MPI
> installation compiled with intel compilers as well.
>
> -Dan
>
> On Aug 8, 2011, at 8:42 AM, hari krishna <haricoolguy111.gmail.com> wrote:
>
> > 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
> >>
> >>
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> >>
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Received on Mon Aug 08 2011 - 06:30:03 PDT
