Hi
You meant "ncsu-cv-MULTI-RMSD.F90" was this file "ncsu-cv-MULTI_RMSD.F90"
if "yes", I think there is still error
(I checked and do see "__GFORTRAN__" in file, the mdsum5 is matched to
yours too)
gfortran -Wall -Wno-unused-function -DBINTRAJ -DEMIL -c -O3 -fPIC
-DNO_ALLOCATABLES_IN_TYPE -ffree-form -I../pbsa -I../sqm -I../rism
-I../../../include
-I/home/haichit/test/AmberTools15.15apr15/amber14/include
-I/home/haichit/test/AmberTools15.15apr15/amber14/include -o
ncsu-cv-MULTI_RMSD.o ncsu-cv-MULTI_RMSD.F90
In file ncsu-cv-MULTI_RMSD.F90:112
integer, volatile :: a, a3 ! work around ifort optimization bug
1
Error: Syntax error in data declaration at (1)
In file ncsu-cv-MULTI_RMSD.F90:118
do a = grp%i0, grp%i1
1
Error: Symbol 'a' at (1) has no IMPLICIT type
In file ncsu-cv-MULTI_RMSD.F90:119
a3 = 3*cv%i(a)
1
Error: Symbol 'a3' at (1) has no IMPLICIT type
make[2]: *** [ncsu-cv-MULTI_RMSD.o] Error 1
make[2]: Leaving directory
`/u1/haichit/test/AmberTools15.15apr15/amber14/AmberTools/src/sander'
make[1]: *** [serial] Error 2
make[1]: Leaving directory
`/u1/haichit/test/AmberTools15.15apr15/amber14/AmberTools/src'
make: *** [install] Error 2
On Wed, Apr 15, 2015 at 6:44 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> Hai pointed out a problem with GCC 4.1.2 compatibility that I just fixed.
> The RC download has been updated and the md5sum is
> c3137b9cd75772521b51b728e132f6c0
>
> If you have already downloaded the last copy, the only difference is in
> AmberTools/src/sander/ncsu-cv-MULTI-RMSD.F90 where I changed __GFORTRAN to
> __GFORTRAN__.
>
> Sorry for the inconvenience,
> Jason
>
> On Wed, Apr 15, 2015 at 3:46 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> > Hi everyone,
> >
> > Yet more errors, round-off failures, and bugs have been fixed since our
> > last release candidate. My most recent tests show that everything builds
> > correctly and passes in both serial and parallel. So I've prepared what
> I
> > hope is our final release candidate before we officially release
> AmberTools
> > 15.
> >
> > So please download the latest release candidate:
> >
> > http://ambermd.org/rc_downloads/AmberTools15.15apr15.tar.bz2
> >
> > compile it, run the tests, and report your results on the Wiki. What we
> > really need tested:
> >
> > - PGI compilers
> > - Testing *with* Amber 14
> > - Older GCC compilers (specifically 4.1.2 as is used in RHEL 5)
> >
> > Thanks!
> > Jason
> >
> > On Mon, Apr 6, 2015 at 3:33 PM, Jason Swails <jason.swails.gmail.com>
> > wrote:
> >
> >> Hello again,
> >>
> >> A number of minor test failures and a couple more significant bugs have
> >> been fixed since the last release candidate. So I've created a new one
> >> that you can download here:
> >>
> >> *http://ambermd.org/rc_downloads/ <http://ambermd.org/rc_downloads/>*
> >> AmberTools15.06apr15.tar.bz2
> >> <http://ambermd.org/rc_downloads/AmberTools15.06apr15.tar.bz2>
> >>
> >> Same general requests as last time: please test as much as you can. I'm
> >> hoping that we are nearing the final revisions, so it would be
> >> especially helpful if more people would download and test the code as
> >> well as report the results on the Wiki.
> >>
> >> The more people we can get to run the tests, the better our final
> >> version should be.
> >>
> >> Manual improvements (even just reports of parts that are unclear or
> >> misleading) are also appreciated (but please do not document stuff that
> >> will not be part of AmberTools 15 yet).
> >>
> >> Thanks,
> >> Jason
> >>
> >> On Tue, 2015-03-31 at 14:07 -0400, Jason Swails wrote:
> >> > Hi everyone,
> >> >
> >> >
> >> > We are nearing our targeted release date in April for AmberTools 15.
> >> > I've created the first release candidate that can be found
> >> > here: http://ambermd.org/rc_downloads/AmberTools15.31mar15.tar.bz2
> >> >
> >> >
> >> > Please download the release candidate and test it on as many platforms
> >> > (with as many compilers) as you have access to (it is not the same as
> >> > git). In particular, the compilers we purport to support are:
> >> >
> >> >
> >> > gnu (gcc, g++, gfortran)
> >> > intel (icc, icpc, ifort)
> >> > pgi (pgcc, pgCC, pgf90)
> >> > clang (clang, clang++, gfortran)
> >> >
> >> >
> >> > And some lesser-tested (and not-advertised) targets:
> >> >
> >> >
> >> > cray (cc, CC, ftn)
> >> > open64 (opencc, openCC, openf90)
> >> >
> >> >
> >> > We also want to make sure that AmberTools 15 works both with Amber 14
> >> > and as a standalone package, so if you can test AmberTools 15 both
> >> > with and without Amber 14, that would be great. And testing the MPI
> >> > and OpenMP parallel builds is appreciated as well.
> >> >
> >> >
> >> > So if you can, please download the tarball, build it with/without
> >> > Amber 14, with MPI and OpenMP, and post the results of the test suite
> >> > on the Amber
> >> > wiki: http://ambermd.org/pmwiki/index.php/Main/Amber15Test (if you
> >> > forget the password to edit, please feel free to contact me for it).
> >> >
> >> >
> >> > Thanks!
> >> > Jason
> >> >
> >> >
> >> > --
> >> > Jason M. Swails
> >> > BioMaPS,
> >> > Rutgers University
> >> > Postdoctoral Researcher
> >>
> >> --
> >> Jason M. Swails
> >> BioMaPS,
> >> Rutgers University
> >> Postdoctoral Researcher
> >>
> >>
> >
> >
> > --
> > Jason M. Swails
> > BioMaPS,
> > Rutgers University
> > Postdoctoral Researcher
> >
>
>
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Wed Apr 15 2015 - 17:00:02 PDT
