Re: [AMBER] AMBER Digest, Vol 162, Issue 3

From: Julio Dominguez <acheron24.hotmail.com>
Date: Thu, 24 May 2012 10:48:15 -0500

Dear Philip Winter

Maybe the MacBookPro has a previous Xcode version installed? Quite a few things changed with the new Xcode 4.3.2. Check with xcode-select -version which one is really running. For 4.3.2 I get 2309 and down to 895 for 3.6

My compilation went fine using intel compilers, xcode 3.6 through 4.3.2.

Best regards.


> Message: 1
> Date: Wed, 23 May 2012 14:05:27 -0600
> From: Philip Winter <pwinter.ualberta.ca>
> Subject: Re: [AMBER] problem installing AMBER12 on MacOSX
> To: amber.ambermd.org
> Message-ID:
> <CA+z7t8QD8Hi=mrZXtm+xkpJdazx3YCV811WFgz=cukwbLUay7A.mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> Was any solution to this error found? We get the same error that Robert
> Oswald reported when compiling bintraj.F90 during the Amber 12 build
> process.
>
> Here was the system: New Mac Pro with Mac OS X 10.7.4 installed. Xcode
> 4.3.2 was installed. We tried compiling with the gcc/gfortran compilers
> from both the MacPorts packages gcc44 and also gcc46. All patches up to
> bugfix 7 for AmberTools and for Amber were applied.
>
> Compilation of Amber was successful with the -nobintraj configure option;
> but unfortunately we need the bintraj support.
>
> Strangely, I was able to compile successfully (no errors) on a MacBook Pro
> (2010 model) with the same versions of Mac OS, Xcode, and the MacPorts
> compiler packages listed above.
>
> Regards,
> Philip
>
> --
> Philip Winter
> Research Assistant, Experimental Oncology, University of Alberta
> Email: pwinter.ualberta.ca, Philip.Winter.albertahealthservices.ca
> Phone: (office) 780-643-4436, (cell) 780-233-7568
>
> From: Jason Swails
> <jason.swails.gmail.com<jason.swails.gmail.com?Subject=Re%3A%20%5BAMBER%5D%20problem%20installing%20AMBER12%20on%20MacOSX>>
>>
>> Date: Mon, 14 May 2012 08:38:25 -0700
>>
>> Just to check, then, what does
>>
>> gcc --version
>> gfortran --version
>>
>> return?
>>
>> On Mon, May 14, 2012 at 8:23 AM, Robert Oswald <robert.oswald.gmail.com>wrote:
>>
>>
>> *> Jason, *
>> *> As far as I know I am using the exact compilers in the example on the
>> wiki: *
>> *> *
>> *> port select --list gcc *
>> *> Available versions for gcc: *
>> *> gcc42 *
>> *> llvm-gcc42 *
>> *> mp-gcc44 (active) *
>> *> none *
>> *> *
>> *> I have applied the bugfix to AmberTools as you suggested. *
>> *> Robert *
>> *> *
>> *> On Mon, May 14, 2012 at 11:11 AM, Jason Swails <jason.swails.gmail.com
>> *
>> *> >wrote: *
>> *> *
>> *> > What version of the GNU compilers are you using? *
>> *> > *
>> *> > My suggestion is to use the exact compilers used in the example on
>> the *
>> *> wiki *
>> *> > you were following. *
>> *> > *
>> *> > Also, the real8 problem should have been fixed by a bugfix to
>> AmberTools. *
>> *> > Please check that you have all bugfixes applied. (Since you applied
>> one *
>> *> by *
>> *> > hand, use the command: *
>> *> > *
>> *> > ./patch_amber.py --update --ignore-fails *
>> *> > ) *
>> *> > *
>> *> > HTH, *
>> *> > Jason *
>> *> > *
>> *> > On Mon, May 14, 2012 at 8:06 AM, Robert Oswald <
>> robert.oswald.gmail.com *
>> *> > >wrote: *
>> *> > *
>> *> > > I am trying to install AmberTools12 and Amber12 on Mac OS X
>> (10.7.3) *
>> *> > > following exactly the procedure described in: *
>> *> > > *
>> *> > > http://jswails.wikidot.com/installing-amber12-and-ambertools-12 *
>> *> > > *
>> *> > > I had no problem installing AmberTools12 alone (except for having
>> to *
>> *> fix *
>> *> > > the real8 problem in psfprm.F90). Installing with Amber 12, I have
>> run *
>> *> > into *
>> *> > > the following issue: *
>> *> > > *
>> *> > > gfortran -DBINTRAJ -c -O3 -mtune=native -ffree-form *
>> *> > > -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm *
>> *> > > -I../../AmberTools/src/rism -I../../include *
>> *> > > -I/Users/reo1/Documents/amber12/include *
>> *> > > -I/Users/reo1/Documents/amber12/include -o bintraj.o bintraj.F90 *
>> *> > > bintraj.F90:119.27: *
>> *> > > *
>> *> > > call checkNCerror(nf90_put_att(vel_ncid, VelocVarID, *
>> *> > > "scale_factor", & *
>> *> > > 1 *
>> *> > > Error: Generic function 'nf90_put_att' at (1) is not consistent
>> with a *
>> *> > > specific intrinsic interface *
>> *> > > make[2]: *** [bintraj.o] Error 1 *
>> *> > > make[1]: *** [serial] Error 2 *
>> *> > > make: *** [install] Error 2 *
>> *> > > *
>> *> > > I'd be grateful for any help in resolving this problem. *
>> *> > > Thanks, *
>> *> > > Robert Oswald *
>> *> > > *
>> *> > > *
>> *> > > -- *
>> *> > > ******************************************** *
>> *> > > Robert Oswald *
>> *> > > Department of Molecular Medicine *
>> *> > > Cornell University *
>> *> > > Ithaca, NY 14850 *
>> *> > > _______________________________________________ *
>> *> > > AMBER mailing list *
>> *> > > AMBER.ambermd.org *
>> *> > > http://lists.ambermd.org/mailman/listinfo/amber *
>> *> > > *
>> *> > *
>> *> > *
>> *> > *
>> *> > -- *
>> *> > Jason M. Swails *
>> *> > Quantum Theory Project, *
>> *> > University of Florida *
>> *> > Ph.D. Candidate *
>> *> > 352-392-4032 *
>> *> > _______________________________________________ *
>> *> > AMBER mailing list *
>> *> > AMBER.ambermd.org *
>> *> > http://lists.ambermd.org/mailman/listinfo/amber *
>> *> > *
>> *> *
>> *> *
>> *> *
>> *> -- *
>> *> ******************************************** *
>> *> Robert Oswald *
>> *> Department of Molecular Medicine *
>> *> Cornell University *
>> *> Ithaca, NY 14850 *
>> *> _______________________________________________ *
>> *> AMBER mailing list *
>> *> AMBER.ambermd.org *
>> *> http://lists.ambermd.org/mailman/listinfo/amber *
>> *> *
>>
>>
>>
>> --
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Candidate
>> 352-392-4032
>> _______________________________________________
>> AMBER mailing listAMBER.ambermd.orghttp://lists.ambermd.org/mailman/listinfo/amber
>>
>> Received on Mon May 14 2012 - 09:00:04 PDT
>>


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