[AMBER] PMEMD installation with gfortran

From: Senthil Natesan <sen.natesan.yahoo.com>
Date: Tue, 11 May 2010 15:13:46 -0700 (PDT)

Dear Amber Users,

I am installing PMEMD (Amber 10) on RHEL 5.3 (x86_64) using gfortran and mvapichand got some errors. I am displaying my config.h file here and please see the attachment for error output.

config.h:
-----------------------------
MATH_DEFINES =
MATH_LIBS =
FFT_DEFINES = -DPUBFFT
FFT_INCLUDE =
FFT_LIBS =
NETCDF_HOME =
NETCDF_DEFINES =
NETCDF_MOD =
NETCDF_LIBS =
MPI_HOME = /usr/mpi/gcc/mvapich-1.1.0
MPI_LIBDIR2 = /usr/mpi/gcc/mvapich-1.1.0/lib/shared
MPI_DEFINES = -DMPI
MPI_INCLUDE = -I$(MPI_HOME)/include
MPI_LIBDIR = $(MPI_HOME)/lib
MPI_LIBS = -L$(MPI_LIBDIR) -lmpich -L$(MPI_LIBDIR2) -lmtl_common -lvapi -lmosal -lmpga -lpthread
DIRFRC_DEFINES = -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC
CPP = /lib/cpp
CPPFLAGS = -traditional -P
F90_DEFINES = -DFFTLOADBAL_2PROC

F90 = gfortran
MODULE_SUFFIX = mod
F90FLAGS = -c
F90_OPT_DBG = -g -ftrace=full
F90_OPT_LO = -O0
F90_OPT_MED = -O2
F90_OPT_HI = -O3
F90_OPT_DFLT = $(F90_OPT_HI)
CC = gcc
CFLAGS =

LOAD = gfortran
LOADFLAGS =
LOADLIBS =
-------------------------------------------------

Any suggestions would be very helpful. Thanks,

Senthil Natesan



      

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Received on Tue May 11 2010 - 15:30:04 PDT
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