Hi
I start the compilation with
./configure_amber -mpi -nosanderidc sparc
/lib/cpp -P -DBINTRAJ -DMPI nose_hoover.f > _nose_hoover.f
"nose_hoover.f", line 455: Can't find include file mpif.h
*** Error code 2
make: Fatal error: Command failed for target `nose_hoover.o'
Current working directory
/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/src/sander
*** Error code 1
make: Fatal error: Command failed for target `parallel'
this I change by adding the following to the configure_amber
fppflags="$fppflags -I/opt/SUNWhpc/HPC8.0/include "
and than this line as well
from
if [ -f /opt/SUNWspro/lib/libsunperf.so ]; then
to
if [ -f /opt/SS12/SUNWspro/lib/libsunperf.so ]; then
after the changes I make clean and than
./configure_amber -mpi -nosanderidc sparc
which gives the error I sent earlier.
The config_amber.h
#==============================================================================
# AMBER Makefile configuration for compiler/architecture: sparc
# Generated via command: ./configure_amber -mpi -nosanderidc sparc
#
# Configuration script written mainly by Joe Krahn, Scott Brozell, and
# Dave Case, with contributions from lots of people.
#==============================================================================
#------------------------------------------------------------------------------
# AMBERBUILDFLAGS provides a hook into the build process for installers;
# for example, to build debug versions of the amber programs
# make -e AMBERBUILDFLAGS="-DDEBUG -g"
#------------------------------------------------------------------------------
AMBERBUILDFLAGS=
#------------------------------------------------------------------------------
# LOCALFLAGS is intended for program specific modifications to the
# Fortran build process and may be modified by the program's local makefile
#------------------------------------------------------------------------------
LOCALFLAGS=
#------------------------------------------------------------------------------
# Availability and method of delivery of math and optional libraries
#------------------------------------------------------------------------------
USE_BLASLIB=$(VENDOR_SUPPLIED)
USE_LAPACKLIB=$(VENDOR_SUPPLIED)
#------------------------------------------------------------------------------
# C compiler
#------------------------------------------------------------------------------
CC= cc
CPLUSPLUS=CC
CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
-I/opt/SUNWhpc/HPC5.0/include/ -DSYSV $(AMBERBUILDFLAGS)
CPPFLAGS= -DBINTRAJ -I../netcdf/include $(AMBERBUILDFLAGS)
#------------------------------------------------------------------------------
# Fortran preprocessing and compiler.
# FPPFLAGS holds the main Fortran options, such as whether MPI is used.
#------------------------------------------------------------------------------
FPPFLAGS= -P -DNO_SANDER_DIVCON -I/opt/SUNWhpc/HPC8.0/include
-DBINTRAJ -DMPI $(AMBERBUILDFLAGS)
FPP= /lib/cpp $(FPPFLAGS)
FC= f90
FFLAGS= -O1 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -O2 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FREEFORMAT_FLAG= -free
#------------------------------------------------------------------------------
# Loader:
#------------------------------------------------------------------------------
LOAD= f90 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADCC= cc $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADLIB= -lmpi -xlic_lib=sunperf -lm
XHOME= /usr/openwin
XLIBS= -L/usr/X11R6/lib
#------------------------------------------------------------------------------
# Other stuff:
#------------------------------------------------------------------------------
.SUFFIXES: .f90
EMPTY=
AR=ar rv
M4=m4 -B50000
RANLIB=ranlib
SFX=
NETCDF=netcdf.mod
NETCDFLIB=../netcdf/lib/libnetcdf.a
MODULEDIR=-M
testsanderDIVCON=skipsanderDIVCON
INCDIVCON=
LIBDIVCON=
# Location for executables, etc:
BINDIR=/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/bin
LIBDIR=/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/lib
INCDIR=/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/include
DATDIR=/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/dat
# default rules for Fortran and C compilation:
.f.o: $<
$(FPP) $< > _$<
$(FC) -c $(FFLAGS) -o $. _$<
.c.o:
$(CC) -c $(CFLAGS) $(CPPFLAGS) -o $. $<
LM= -lm
I am not quite sure if these are the information you asked for.
Thanks in advance
On Fri, Apr 3, 2009 at 11:39 AM, Atro Tossavainen
<atro.tossavainen+amber.helsinki.fi> wrote:
>> module load mpi/8.0
>>
>> without changing anything I get an error
>
> In which part of what?
>
>> that it cannot find the file
>> mpih.f hence I include the following flag for the compiler
>
> What are the parameters you are giving to ./configure_amber?
>
> What's the config_amber.h file like after you have run this?
>
> --
> Atro Tossavainen (Mr.) / The Institute of Biotechnology at
> Systems Analyst, Techno-Amish & / the University of Helsinki, Finland,
> +358-9-19158939 UNIX Dinosaur / employs me, but my opinions are my own.
> < URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Apr 05 2009 - 01:07:32 PDT
