AMBER Archive (2003)

Subject: Re: AMBER: ptraj problem

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Aug 25 2003 - 14:14:23 CDT

> when I compile the whole program, it stopped at carnal.

You don't need to recompile all the programs when fixing one.
However, here is some discussion that may help compile carnal.

        ../Compile LOADCC -o carnal main.o util.o rdprm.o static.o stream.o
        group.o table.o pointax.o coord.o doit.o geom.o meas.o pdbgen.o modsel.o
        hbond.o stats.o distrib.o rms.o matrix3.o pucker.o dme.o image.o
        energy.o cutres.o -lm
        g77 -O6 -o carnal main.o util.o rdprm.o static.o stream.o group.o
        table.o pointax.o coord.o doit.o geom.o meas.o pdbgen.o modsel.o hbond.o
        stats.o distrib.o rms.o matrix3.o pucker.o dme.o image.o energy.o
        cutres.o -lm -lm

In your Machine file, you will find a definition for LOADCC.
For some reason in the Machine file you are using, this is
defined to use the fortran compiler to create the executable
for a C program. This often works, however since there is an
error, this may be the cause of the failure.

Possibly redefining LOADCC as cc instead of g77 in your Machine
file would fix this. Looking at the actual error suggests another
possibility however:

        util.o(.text+0x1a48): In function `tokint':
        : undefined reference to `__ctype_b'
        util.o(.text+0x1ae8): In function `tokREAL':
        : undefined reference to `__ctype_b'
        collect2: ld returned 1 exit status

These errors resemble what you might see if you compiled the first
time on another machine. To test this, try 'rm -f src/carnal/*.o'
and try compiling again.

Bill Ross

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu