Dear AMBER users,
I have successfully installed the parallel version of the SANDER and then i
tried to install the PMEMD in parallel, but got the following error.
./configure linux_em64t gfortran mpich2
the above is the combination I have used.
cd src && make all
make[1]: Entering directory `/home/guest1/amber10/src/pmemd/src'
cc -E -DPUBFFT gbl_constants.fpp gbl_constants.f90
cc: gbl_constants.f90: No such file or directory
# 1 "gbl_constants.fpp"
# 1 "<built-in>"
# 1 "<command line>"
# 1 "gbl_constants.fpp"
# 1 "copyright.i" 1
!************************************************************************
! AMBER **
! **
! Copyright (c) 2008 **
! Regents of the University of California **
! All Rights Reserved. **
! **
! This software provided pursuant to a license agreement containing **
! restrictions on its disclosure, duplication, and use. This software **
! contains confidential and proprietary information, and may not be **
! extracted or distributed, in whole or in part, for any purpose **
! whatsoever, without the express written permission of the authors. **
! This notice, and the associated author list, must be attached to **
! all copies, or extracts, of this software. Any additional **
! restrictions set forth in the license agreement also apply to this **
! software. **
!************************************************************************
# 2 "gbl_constants.fpp" 2
!*******************************************************************************
!
! Module: gbl_constants_mod
!
! Description: A central repository of constants that otherwise create
! circular dependency headaches.
!
!*******************************************************************************
module gbl_constants_mod
implicit none
! Global constants:
double precision, parameter :: PI = 3.1415926535897932384626433832795d0
double precision, parameter :: DEG_TO_RAD = PI / 180.d0
double precision, parameter :: RAD_TO_DEG = 180.d0 / PI
! big_int is largest int that fits in an i8 field, for max nscm, etc.
integer, parameter :: big_int = 99999999
integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! from
sander8
integer, parameter :: UNSUPPORTED_INPUT_OPTION = -10302
character(11), parameter :: info_hdr = '| INFO: '
character(11), parameter :: warn_hdr = '| WARNING: '
character(11), parameter :: error_hdr = '| ERROR: '
character(11), parameter :: extra_line_hdr = '| '
character(8), parameter :: prog_name = 'PMEMD 10'
character(41), parameter :: use_sander = &
'| Please use sander 10
instead.'
end module gbl_constants_mod
make[1]: *** [gbl_constants.o] Error 1
make[1]: Leaving directory `/home/guest1/amber10/src/pmemd/src'
make: *** [all] Error 2
Please need suggestion and corrections to install properly
Regards
S.Harikrishna
Junior research fellow
Chemistry Deptt
IIT
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Received on Tue Jan 03 2012 - 21:30:03 PST
