Dear All,
I am trying to compile AMBER7 with mpich (1.2.4)/pgi under our dual Athlon
cluster. I got the machine file from the AMBER web site i.e. .
http://amber.ch.ic.ac.uk/cluster_info/index.html
and I got the "farg.f" file from mpich.
In this "machine.pgf77_mpich" file, it is written "setenv SYSDIR Machines/g77"
I checked: no such directory is available from my AMBER7 CD. I got it from my
AMBER6 but the compilation stopped because of errors:
cat egb.f | /lib/cpp -traditional -I/usr/pgi/linux86/include -P -DDPREC
-DLinux -DISTAR2 -DREGNML -DMPI > _egb_.f
pgf77 -c -O2 -Munroll -tp athlonxp -Mnoframe -Msecond_underscore _egb_.f
/tmp/pgf77Ev9z9n.s: Assembler messages:
/tmp/pgf77Ev9z9n.s:1316: Error: unknown pseudo-op: `.lb1_8ðß'
/tmp/pgf77Ev9z9n.s:1316: Error: invalid character (0xffffffc3) in mnemonic
/tmp/pgf77Ev9z9n.s:1316: Warning: rest of line ignored; first ignored character
valued 0xe
/tmp/pgf77Ev9z9n.s:1316: Error: invalid character (0xffffffc0) in mnemonic
...
/tmp/pgf77Ev9z9n.s:1321: Error: invalid character (0xffffffb8) in mnemonic
make[1]: *** [egb.o] Error 1
make[1]: Leaving directory `/home/fyd/amber7/src/sander'
make: *** [install] Error 2
I also tried with "setenv SYSDIR Machines/standard" without sucess.
Thanks for your advice, Best regards, Francois
From hornak_at_csb.sunysb.edu 31 Jan 2003 10:12:37 -0500
Message-id: <1044025957.1305.53.camel.frodo.bio.sunysb.edu>
Date: 31 Jan 2003 10:12:37 -0500
From: Viktor Hornak <hornak_at_csb.sunysb.edu>
To: AMBER list <amber.heimdal.compchem.ucsf.edu>
Subject: Re: AMBER7 & mpich
In-Reply-to: <AMBER7 & mpich>
Dear Francois,
as you said, the line in the MACHINE file should really be
setenv SYSDIR Machines/standard
farg.f should be compiled (according to a comment in the MACHINE file)
before you start compiling/linking the rest. Your message indicates some
other problem though. Sander compiles with this MACHINE file on our dual
Athlons. Could you try "make clean" and then "make" in your $AMBERHOME
(it may be linking to some older object files laying around)?
Good luck,
-Viktor
On Fri, 2003-01-31 at 09:05, FyD wrote:
> Dear All,
>
> I am trying to compile AMBER7 with mpich (1.2.4)/pgi under our dual Athlon
> cluster. I got the machine file from the AMBER web site i.e. .
> http://amber.ch.ic.ac.uk/cluster_info/index.html
> and I got the "farg.f" file from mpich.
> In this "machine.pgf77_mpich" file, it is written "setenv SYSDIR Machines/g77"
> I checked: no such directory is available from my AMBER7 CD. I got it from my
> AMBER6 but the compilation stopped because of errors:
>
> cat egb.f | /lib/cpp -traditional -I/usr/pgi/linux86/include -P -DDPREC
> -DLinux -DISTAR2 -DREGNML -DMPI > _egb_.f
> pgf77 -c -O2 -Munroll -tp athlonxp -Mnoframe -Msecond_underscore _egb_.f
> /tmp/pgf77Ev9z9n.s: Assembler messages:
> /tmp/pgf77Ev9z9n.s:1316: Error: unknown pseudo-op: `.lb1_8ðß'
> /tmp/pgf77Ev9z9n.s:1316: Error: invalid character (0xffffffc3) in mnemonic
> /tmp/pgf77Ev9z9n.s:1316: Warning: rest of line ignored; first ignored character
> valued 0xe
> /tmp/pgf77Ev9z9n.s:1316: Error: invalid character (0xffffffc0) in mnemonic
> ...
> /tmp/pgf77Ev9z9n.s:1321: Error: invalid character (0xffffffb8) in mnemonic
> make[1]: *** [egb.o] Error 1
> make[1]: Leaving directory `/home/fyd/amber7/src/sander'
> make: *** [install] Error 2
>
> I also tried with "setenv SYSDIR Machines/standard" without sucess.
>
> Thanks for your advice, Best regards, Francois
Received on Fri Jan 31 2003 - 06:05:41 PST
