AMBER Archive (2009)

Subject: [AMBER] Need help for PMEMD 10 installation

From: Jun Dong (jun_at_strubi.ox.ac.uk)
Date: Fri Jul 10 2009 - 11:05:49 CDT

Dear AMBER 10 developers,
I am trying to install PMEMD 10 on our REDHAT linux 64 bit computer with ifort compiler.

./configure linux_em64t ifort mpich
Intel ifort compiler found; version information:
Version 10.0
configure assumes Intel MKL is installed in /raid/1/software/linux/compiler/mkl/9.1.023
File config_data/fft.pubfft being used...
File config_data/linux_em64t.ifort being used...
File config_data/interconnect.mpich being used...
configure assumes mpich files are in /raid/1/software/AMBER/openmpi.
PMEMD Configurate successfully completed.
[dong_at_coke pmemd]$ make
cd src && make all
make[1]: Entering directory `/raid/1/software/AMBER/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC gbl_constants.fpp gbl_constants.f90
ifort -c -auto -tpp7 -xP -ip -O3 gbl_constants.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC gbl_datatypes.fpp gbl_datatypes.f90
ifort -c -auto -tpp7 -xP -ip -O3 gbl_datatypes.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC state_info.fpp state_info.f90
ifort -c -auto -tpp7 -xP -ip -O3 state_info.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC file_io_dat.fpp file_io_dat.f90
ifort -c -auto -tpp7 -xP -ip -O3 file_io_dat.f90
ifort: command line remark #10148: option '-tp' not supported
/lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
ifort -c -auto -tpp7 -xP -ip -O3 pmemd_lib.f90
ifort: command line remark #10148: option '-tp' not supported
fortcom: Error: pmemd_lib.f90, line 111: Cannot open include file 'mpif-common.h'
     include 'mpif-common.h'
--------------^
fortcom: Error: pmemd_lib.f90, line 226: Cannot open include file 'mpif-common.h'
     include 'mpif-common.h'
--------------^
fortcom: Error: pmemd_lib.f90, line 149: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
 call mpi_comm_rank(mpi_comm_world, mytaskid, err_ret_code)
---------------------^
compilation aborted for pmemd_lib.f90 (code 1)
make[1]: *** [pmemd_lib.o] Error 1
make[1]: Leaving directory `/raid/1/software/AMBER/amber10/src/pmemd/src'
make: *** [all] Error 2

Please help!!!
Many thanks,
Jun Dong
Division of Structural Biology
The Wellcome Trust Centre for Human Genetics
Oxford University
Roosevelt Drive
Oxford
OX3 7BN
Tel: 01865 287558

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