Dear all,
In the last step of Amber10 installation,during the installation of PMEMD
I faced some problems.I wrote before to amber mailing list and got some
instructions regarding this problem.From those I realised some mistakes and
gave the options as follows.Then it shows PMEMD Configurate successfully
completed.
( command - ./configure linux_em64t ifort intelmpi)
Please enter name of directory where Intel MKL files are installed:
/opt/intel/mkl/10.0.3.020/man/man3
File config_data/fft.pubfft being used...
File config_data/linux_em64t.ifort being used...
File config_data/interconnect.intelmpi being used...
Please enter directory where intelmpi mpi files are installed:
/opt/intel/impi/3.1
PMEMD Configurate successfully completed.
(The intelmpi is installed in my system.There is an mpif.h file in the
include directory which is in the /opt/intel/impi/3.1directory )
Then I gave the next command 'make install',again it shows the following
massages at the end.*
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fft1d.f90(186): (col. 8) remark: LOOP WAS VECTORIZED.
fft1d.f90(112): (col. 8) remark: LOOP WAS VECTORIZED.
/lib/cpp -traditional -P -I/opt/intel/impi/3.1/include -DPUBFFT -DMPI
-DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC
charmm.fpp charmm.f90
ifort -c -auto -tpp7 -xP -ip -O3 charmm.f90
ifort: command line remark #10148: option '-tp' not supported
fortcom: Error: charmm.f90, line 275: Declaration of module 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
fortcom: Error: charmm.f90, line 275: Declaration of routine 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
compilation aborted for charmm.f90 (code 1)
make[1]: *** [charmm.o] Error 1
make[1]: Leaving directory
`/storage/home/nsengupta/AMBER/amber10/src/pmemd/src'
make: *** [install] Error 2
I am expecting your valuable replay
Thanking You
Jaya*
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Received on Fri May 07 2010 - 23:30:03 PDT
