AMBER Archive (2003)

Subject: AMBER7 & mpich

From: FyD (fyd_at_u-picardie.fr)
Date: Fri Jan 31 2003 - 08:05:41 CST

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