AMBER Archive (2008)

Subject: Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sun Dec 14 2008 - 08:20:36 CST

On Sat, Dec 13, 2008, Atro Tossavainen wrote:
>
>
> 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

I can't see any problem with the code here, and this syntax is used in many
places in the "ncsu" modules. Did you successfully compile any of the ncsu-
files?

You could try the following experiment: UMBRELLA_MAX_NEXTENTS is defined this
way:

use ncsu_umbrella, only : umbrella_t, &
   MAX_NUMBER_OF_COLVARS => UMBRELLA_MAX_NEXTENTS

Change that to:

use ncsu_umbrella, only : umbrella_t, UMBRELLA_MAX_NEXTENTS

Then change MAX_NUMBER_OF_COLVARS to UMBRELLA_MAX_NEXTENTS everywhere it
appears.

It could be that the SGI f90 code is not correctly handling these sorts of
indirections.
>
> 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 '.

Try removing the initial "&" from line 240. That should not be there, but
apparently most compilers don't complain.

...dac
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