AMBER Archive (2002)

Subject: Mopac509mn/linux

From: James W. Caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Tue Sep 24 2002 - 10:00:20 CDT

I just noted that the recommended mopac for Amber7/antechamber use
only has a make file for the (not free) Portland group fortran compiler.

I initially tried compiling it with the (free) Intel Fortran compiler
on my AMD systems and found that altho it does compile NONE of the
test cases pass. Even with no code optimization. NOTE: ifc does
work very well on Amber.

I tried G77 and all is fine (I couldn't get a make file to work with
g77 myself). Here is the make file in the style of the others which come
with the code, supplied by Dave Case, that will compile Mopac509mn
using the standard Linux G77 compiler:

# This is a sample makefile which compiles and links
# MOPAC 509mn on LINUX
# Set the compiler and loader commands.
#
FC = g77
FFLAGS= -O2
LD= g77
LDFLAGS=

MOPAC_MAIN = mopac_main.o
MOPAC = m509_mod.o m509_unmod.o betsrp.o chgmp2.o
# MOPAC machine-dependant routines
MMD = m509_mdep_ws.o m509_ef_ws.o
# General machine-dependant routines
GMD = second_linux.o date_linux.o fromblas.o
CFI = second1.o dateclock.o

mopac509: $(CFI) $(MOPAC) $(MOPAC_MAIN) $(MMD) $(GMD)
        $(LD) -o mopac509mn $(MOPAC) $(MOPAC_MAIN) $(MMD) $(GMD) $(CFI) $(LDFLAGS)

$(MOPAC) $(MOPAC_MAIN) $(MMD) : SIZES.i

clean :; /bin/rm *.o 

-- 

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James W. Caldwell                         (voice) 415-476-8603
Department of Pharmaceutical Chemistry    (fax)   415-502-1411  
Mail Stop 0446                            (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue                      
University of California                  
San Francisco, CA 94143-0446               
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