AMBER: the pmemd problem

From: hklwatergod <hklwatergod.email.jlu.edu.cn>
Date: Fri, 25 Jul 2008 19:51:32 +0800

Dear all:

whem i installed pmemd 9.0 ,i got the following errors. i used the openmpi 1.2.6 and ifort
./configure linux_p4 ifort lam pubfft nobintraj

Intel ifort compiler found; version information:
Version 10.1
Use Intel MKL? (better performance) (answer yes or no):
no
File config_data/fft.pubfft being used...
File config_data/linux_p4.ifort being used...
File config_data/interconnect.lam being used...
configure assumes lam files are in /opt/openmpi.
PMEMD Configurate successfully completed.

make install
make[1]: Entering directory `/usr/local/amber9/src/pmemd/src'
/lib/cpp -traditional -P -I/opt/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_COMTRANS -DDIRFRC_EFS -DFFTLOADBAL_2PROC gbl_constants.fpp gbl_constants.f90
ifort -c -auto -tpp7 -xN -ip -O3 gbl_constants.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/opt/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_COMTRANS -DDIRFRC_EFS -DFFTLOADBAL_2PROC gbl_datatypes.fpp gbl_datatypes.f90
ifort -c -auto -tpp7 -xN -ip -O3 gbl_datatypes.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/opt/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_COMTRANS -DDIRFRC_EFS -DFFTLOADBAL_2PROC state_info.fpp state_info.f90
ifort -c -auto -tpp7 -xN -ip -O3 state_info.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/opt/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_COMTRANS -DDIRFRC_EFS -DFFTLOADBAL_2PROC file_io_dat.fpp file_io_dat.f90
ifort -c -auto -tpp7 -xN -ip -O3 file_io_dat.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/opt/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_COMTRANS -DDIRFRC_EFS -DFFTLOADBAL_2PROC parallel_dat.fpp parallel_dat.f90
ifort -c -auto -tpp7 -xN -ip -O3 parallel_dat.f90
ifort: command line remark #10148: option '-tp' not supported
fortcom: Error: parallel_dat.f90, line 92: Cannot open include file 'mpif-common.h'
      include 'mpif-common.h'
--------------^
fortcom: Error: parallel_dat.f90, line 224: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
    call mpi_abort(mpi_comm_world, i, err_ret_code)
-------------------^
compilation aborted for parallel_dat.f90 (code 1)
make[1]: *** [parallel_dat.o] Error 1
make[1]: Leaving directory `/usr/local/amber9/src/pmemd/src'




hklwatergod
2008-07-25


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Received on Sun Jul 27 2008 - 06:07:48 PDT
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