Dear Amber experts
I am having trouble compiling amber 9 (serial) on an IBM SP5 system.
Some relevant details are:
uname -av
AIX j37 3 5 002242FB4C00
(i.e. AIX 5.3)
xlf90 -qversion
Fortran command: /usr/local/beta/xlf-10.1.0.5/usr/bin/xlf90 -q64 -qversion
IBM XL Fortran Enterprise Edition V10.1 for AIX
Version: 10.01.0000.0005
./configure xlf90_aix
The config.h file is created with no problem.
The compilation (make serial) breaks down in the compilation of
_evb_vars.f :
cd sander; make serial
./checkserconf
/lib/cpp -P -DMASSLIB -DNMLEQ -DCLINK_PLAIN -DXLF90 evb_vars.f
> _evb_vars.f
xlf90 -c -qfixed -c -qfree=f90 -o evb_vars.o _evb_vars.f
Fortran command: /usr/local/beta/xlf-10.1.0.5/usr/bin/xlf90 -q64 -c
-qfixed -c -qfree=f90 -o evb_vars.o _evb_vars.f
** evb_nml === End of Compilation 1 ===
** evb_amber === End of Compilation 2 ===
** evb_parm === End of Compilation 3 ===
** evb_xchff === End of Compilation 4 ===
** evb_xdat === End of Compilation 5 ===
** evb_mv === End of Compilation 6 ===
** evb_data === End of Compilation 7 ===
"_evb_vars.f", line 496.36: 1514-129 (E) Previous specified type does
not agree with the actual type of the INTRINSIC function. Type is ignored.
"_evb_vars.f", line 496.63: 1514-129 (E) Previous specified type does
not agree with the actual type of the INTRINSIC function. Type is ignored.
** evb_check === End of Compilation 8 ===
** evb_math === End of Compilation 9 ===
1501-511 Compilation failed for file _evb_vars.f.
make: 1254-004 The error code from the last command is 1.
Stop.
make: 1254-004 The error code from the last command is 2.
Stop.
===
The line involved appears to be:
double precision , intrinsic :: sqrt, dot_product, maxval, abs
My knowledge of fortran is a bit limited but this line seems quite legal
to me. Anyway, I changed sqrt to dsqrt and abs to dabs and now
_evb_vars.f compiles but then the make fails further on for similar
reasons.
Is there any way to avoid changing the code to get round these problems ?
many thanks
Andy Emerson
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Received on Sun May 04 2008 - 06:07:09 PDT
