If you want to try difference version, you can set environments for CC,
CXX, FC *right before* doing ./configure gnu
export CC=/path/to/modern/gcc
export CXX=/path/to/modern/g++
export FC=/path/to/gfortran/
# might need to add LD_LIBRARY_PATH too
cheers
Hai
On Fri, Jun 3, 2016 at 1:58 PM, Gulsevin,Alican <agulsevin.chem.ufl.edu>
wrote:
> Hello again Hai,
>
> Yes, and you pointed the right direction. The versions given were 4.1,
> although my gcc was sourced to gcc44. I kept the obsolete version as well
> because Centos 5 can get iffy and sometimes you need the older compilers as
> well. I just moved gcc44, gfortran44, g++44 executables to gcc, gfortran,
> g++. Only then did the installer printed the versions as 4.4.7, and I
> managed to install the serial version without a problem in the end.
>
> Thanks for all the help,
> Alican
> ________________________________________
> From: Hai Nguyen <nhai.qn.gmail.com>
> Sent: Friday, June 3, 2016 1:25 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Amber16 won't install
>
> Did you see this part
>
> Obtaining the gnu compiler suite versions, e.g.:
> gcc -v
> The C version is 4.4.7
> The Fortran version is 4.4.7
>
> after doing "./configure gnu"?
>
> Hai
>
> On Fri, Jun 3, 2016 at 1:22 PM, Gulsevin,Alican <agulsevin.chem.ufl.edu>
> wrote:
>
> > Hello again,
> >
> > Sorry, the post I was referring to was : "> is_iostat_end is an F2003
> > intrinsic function.
> > > is_iostat_end is available in gnu 4.4.5, but not in 4.2.3: ", so 4.4.5
> > was needed, and I have updated to 4.4.7. Still the same error.
> >
> > Alican
> > ________________________________________
> > From: Hai Nguyen <nhai.qn.gmail.com>
> > Sent: Friday, June 3, 2016 1:11 PM
> > To: AMBER Mailing List
> > Subject: Re: [AMBER] Amber16 won't install
> >
> > Hi Gulsevin,
> >
> > I've tried to install amber16 with gcc *4.4.4 *and the compilation is ok
> > with me.
> >
> > this is a part of my output from "./configure gnu"?
> >
> > Obtaining the gnu compiler suite versions, e.g.:
> > gcc -v
> > The C version is 4.4.4
> > The Fortran version is 4.4.4
> >
> > Can you double-check your output with 4.4.5
> >
> > minor point: I think 4.5 (suggested from the thread you mention) > 4.4.5
> > (yours)
> >
> > Hai
> >
> > On Fri, Jun 3, 2016 at 7:01 AM, Gulsevin,Alican <agulsevin.chem.ufl.edu>
> > wrote:
> >
> > > Hi all,
> > >
> > > I've been trying to install Amber16 on 3 different machines at the
> moment
> > > and all installations have failed so far due to different reasons. I'll
> > be
> > > posting only one for the moment for simplicity and try solving the rest
> > in
> > > the meantime, so I'd appreciate any help on the issue.
> > >
> > > OS of this computer is Centos 5.9, I tried installing Amber16 by first
> > > running the configure file with gnu compiler for basic mode (no
> parallel
> > or
> > > GPU). After installing miniconda and the patch as the installer
> > requested,
> > > all was fine and I continued with the "make install" command. All was
> > fine
> > > until I hit the following error:
> > >
> > > gfortran -Wall -Wno-unused-function -DBINTRAJ -DEMIL -c -O0 -fPIC
> > > -DNO_ALLOCATABLES_IN_TYPE -ffree-form -I../pbsa -I../sqm -I../rism
> > > -I../../../include -I/home/progs/amber16/include
> > > -I/home/progs/amber16/include -o qm2_extern_gau_module.o
> > > qm2_extern_gau_module.F90
> > > In file qm2_extern_gau_module.F90:357
> > >
> > > intrinsic :: is_iostat_end
> > > 1
> > > Error: Intrinsic at (1) does not exist
> > > In file qm2_extern_gau_module.F90:476
> > >
> > > done = is_iostat_end(ios) .or. (i == 3)
> > > 1
> > > Error: Function 'is_iostat_end' at (1) has no IMPLICIT type
> > > In file qm2_extern_gau_module.F90:492
> > >
> > > done = done .or. is_iostat_end(ios)
> > > 1
> > > Error: Function 'is_iostat_end' at (1) has no IMPLICIT type
> > > make[2]: *** [qm2_extern_gau_module.o] Error 1
> > > make[2]: Leaving directory `/home/progs/amber16/AmberTools/src/sander'
> > > make[1]: *** [serial] Error 2
> > > make[1]: Leaving directory `/home/progs/amber16/AmberTools/src'
> > > make: *** [install] Error 2
> > >
> > > The past archives have one post related to the issue, where the problem
> > > was told to be (possibly) about the gcc compiler version < 4.5. I
> updated
> > > all gnu compilers before I begun (gcc, g++, gfortran), and my version
> > info
> > > shows 4.4.5 so that shouldn't be a problem, but things can go wrong in
> > many
> > > ways or the installation might be calling an obsolete version.
> > >
> > > Sorry if I skipped any information you might need, I'd be glad to
> answer
> > > any further questions you might have. I appreciate your help.
> > >
> > > Thank you,
> > > Alican
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
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>
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>
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Received on Fri Jun 03 2016 - 12:00:02 PDT
