Hi all,
here's what I observed while building amber10 (on x86_64 linux)
(sorry I can right now only submit putative bugs, no fixes):
1) The "INSTALL" file misses a
"cd ${AMBERHOME}/src"
before step (2). This is trivial but bound to confuse some.
2) Intel compilers (10.0.026 and 10.1.013) build a segfault-prone
ptraj. As far as I've seen, the segfault happens at:
0x000000000044fe05 in ptrajSetupIO (argumentStack=0x8351e0,type=TRANSFORM_TRAJIN) at ptraj.c:5737
5737 info->remdtrajtemp=boxtmp;
Since gcc seems to produce less segfaults this *might* come from a
compiler bug. Building ptraj with gcc, only
${AMBERHOME}/test/ptraj_matrix/Run.matrix fails
segfaulting after ptraj has written lots of WARNINGS.
3) while building serial sander, ifort (and gfortran) give up with:
ifort -c -w95 -vec_report0 -mp1 -ip -O3 -axWP -FR -I../../sander -I../src/include -DHAS_LAPACK -DQMMM -o ../obj/kinds.o ../src/main/kinds.F90
error: can't open file ../obj/kinds.o for write
This can be fixed by "mkdir ${AMBERHOME}/src/dcqtp/obj" (no one else
else have a problem here ?)
4) Possible compiler bug in ifort 10.1.013: Only with this compiler I get
a lot of errors like:
ifort -c -w95 -vec_report0 -mp1 -ip -O3 -axWP -FR -I../../sander -I../src/include -DHAS_LAPACK -DQMMM -o ../obj/qm_mm_div.o ../src/qmmm/qm_mm_div.F90
fortcom: Error: qm_mm_div.F90, line 100: The rank of the allocate-shape-spec-list differs from the rank of the allocate-object. [LINK_INDEX]
allocate(link_index(qmmm_struct%nlink+1),stat=ier)
---------------------^
<truncated here>
and the build fails of course. Being nearly f90-illiterate I can't tell
whether the trouble stem from ifort or from not so standard-conforming
code.
5) Pathscale (3.1) miserably fails, starting with
pathf90 -c -O3 -intrinsic=PGI -intrinsic=fdate
-fno-unsafe-math-optimizations -freeform -o ncsu-cv-HANDEDNESS.o _ncsu-cv-HANDEDNESS.f
module ncsu_cv_HANDEDNESS
^
pathf95-855 pathf90: ERROR NCSU_CV_HANDEDNESS, File =
_ncsu-cv-HANDEDNESS.f, Line = 80, Column = 8
The compiler has detected errors in module "NCSU_CV_HANDEDNESS". No
module information file will be created for this module.
double precision, parameter, private :: TINY = dble(0.000001)
^
pathf95-1456 pathf90: ERROR NCSU_CV_HANDEDNESS, File =
_ncsu-cv-HANDEDNESS.f, Line = 96, Column = 53
Only elemental intrinsics of type integer or character are allowed in an
initialization expression.
pathf95: PathScale(TM) Fortran Version 3.1 (f14) Tue Mar 4, 2008
19:07:27
pathf95: 695 source lines
pathf95: 2 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s)
pathf95: "explain pathf95-message number" gives more information about
each message
make[1]: *** [ncsu-cv-HANDEDNESS.o] Error 2
...but this is a <4 letter word here>-compiler anyway.
Sorry if I've duplicated already known reports (?)
best regards
Andreas
)))))
(((((
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o Wolfgang Andreas Svrcek-Seiler
o (godzilla)
svrci.tbi.univie.ac.at
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Received on Wed Mar 05 2008 - 06:07:35 PST
