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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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Mon Aug 08 2011 - 06:30:02 PDT
