AMBER Archive (2003)

Subject: Re: AMBER7 & mpich

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Fri Jan 31 2003 - 09:12:37 CST

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://www.amber.ucsf.edu/amber/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