AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC

From: Atro Tossavainen <>
Date: Sat, 13 Dec 2008 23:18:45 +0200 (EET)

Hello all,

Making from a clean source tree, have applied AMBER 10 patches up to 12
and AmberTools 1.2 patches up to 5.

Configure is ./configure_amber sgi_mips

Have tried with ./configure_amber -nobintraj sgi_mips as well. No change.

Compiling ncsu-abmd-hooks.f bombs on this platform as follows.

        /lib/cpp -P -DSGI -DnoVDINVSQRT ncsu-abmd-hooks.f > _ncsu-abmd-hooks.f
        f90 -c -n32 -mips4 -r10000 -O3 -freeform -o ncsu-abmd-hooks.o _ncsu-abmd-hooks.f

module ncsu_abmd_hooks
f90-855 f90: ERROR NCSU_ABMD_HOOKS, File = _ncsu-abmd-hooks.f, Line = 116, Column = 8
  The compiler has detected errors in module "NCSU_ABMD_HOOKS". No module information file will be created for this module.

   integer :: cv_extents(UMBRELLA_MAX_NEXTENTS)
f90-113 f90: ERROR ON_SANDER_INIT, File = _ncsu-abmd-hooks.f, Line = 287, Column = 26
  IMPLICIT NONE is specified in the local scope, therefore an explicit type must be specified for data object "UMBRELLA_MAX_NEXTENTS".

   double precision :: u_value, u_derivative(UMBRELLA_MAX_NEXTENTS), alt
f90-113 f90: ERROR ON_FORCE, File = _ncsu-abmd-hooks.f, Line = 759, Column = 46
  IMPLICIT NONE is specified in the local scope, therefore an explicit type must be specified for data object "UMBRELLA_MAX_NEXTENTS".

f90: SGI MIPSpro Fortran 90 Version 7.44 (f14) Sat Dec 13, 2008 23:03:44
f90: 858 source lines
f90: 3 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s)
cf90: "explain cf90-message number" gives more information about each message
*** Error code 2 (bu21)
*** Error code 1 (bu21)

I'm also trying to compile the same kit of AMBER 10 for a Sun Fire E25k
(Solaris 9, f90: Sun Fortran 95 8.0 Patch 115984-04 2005/12/13), which
bombs at line 240 of src/dcqtp/src/pb/dpinit.F90 missing an apostrophe!?

cd ../dcqtp; make libdivcon.a
cd mod; make QMMM=-DQMMM -f Makefile.dcsander libdivcon.a
f90 -c -O1 -free -M../../sander -I../src/include -DHAS_LAPACK -DQMMM -o ../obj/dpinit.o ../src/pb/dpinit.F90
"dpinit.F90", line 240: error: missing '.
*** Error code 1
make: Fatal error: Command failed for target `../obj/dpinit.o'

I can't see a missing apostrophe on that line in the source code. The
compiler is Studio 9.

Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
+358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
< URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
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Received on Sun Dec 14 2008 - 01:19:37 PST
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