AMBER: Amber 8 on Rocks 4, Opteron, PGI 6.1

From: Lars Packschies <>
Date: Fri, 14 Jul 2006 12:18:08 +0200

Dear List Members,

 We're switching from Rocks 3 to Rocks 4, with this we go to PGI 6.1, but
I cannot compile Amber8. I followed the instructions from
( - exchanged configure in bith src and src/pmemd,
  - changed lien 114 in c/leap/src/leap/Makefile and
  - added linux_opteron.pgf90.mpich and linux_opteron.pgf90.nopar).


make -e YACC="/usr/bin/bison -y" X11LIBDIR="lib64" serial

ends with

PGC-S-0035-Syntax error: Recovery attempted by replacing '/' by double
0.00000000000000000E+0 (commands.c: 5136)
PGC-S-0104-Non-numeric operand for multiplicative operator (commands.c:
PGC/x86-64 Linux/x86-64 6.1-5: compilation completed with severe errors
make[2]: *** [commands.o] Error 2
make[2]: Leaving directory `/opt/testing/amber8/src/leap/src/leap'
make[1]: *** [install] Error 2
make[1]: Leaving directory `/opt/testing/amber8/src/leap'
make: *** [serial] Error 2

It's Amber 8 (did not purchase Amber 9 _yet_, but I'm about to). I
included all bugfixes up to No. 62.

Do you know what goes wrong there? Would it just make sense to go back to
the 5.2
compilers (although I got an error there yesterday, but thats not yet

Thanks in advance,


             ,H  + Dr. Lars Packschies  ZAIK/RRZK, Robert-Koch-Str.10 +
H      H    O    | Chemistry Dpt. Support            D-50931 Cologne  |
 `O-H. |  ,' `H  | Comp.Dpt., Univ. of Cologne  Phn (+49)221-478-7022 |
      `O-H       +  Fax (+49)221-478-5568 +
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Received on Sun Jul 16 2006 - 06:07:06 PDT
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