Re: [AMBER] Failure to compile AmberTools 1.5 on linux

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Fri, 30 Sep 2011 13:57:53 +0200

Francesco,

Using the very last version of Ubuntu or Fedora can results in
compilation problems - I mean if you do not want to spend several days
for compiling...

In the lab, we use CentOS 5.4/5.6 for cluster/computation and Fedora
14 for Laptops. No problem in these conditions...

regards, Francois


Quoting Francesco Pietra <chiendarret.gmail.com>:

> Hello:
>
> After a long while, having heard that bugs have been cleared from
> gcc/gfortran, I was trying today
> again to compile Amber
>
> I am at Amber 10 and AmberTools 1.5, the latter patched bugfixes 1-18.
> Debian-Linux amd64.
> gcc/gfortran v. 4.6.1.4
>
> On trying a serial compilation, while there was no warning in
> "./configure gnu" I am getting from
> "make install" an error that appears on recent mail, hower I have not
> seen the solver.
>
> Here the last part:
>
> make[1]: Leaving directory `/usr/local/amber11/AmberTools/src/chamber'
> (cd pbsa && make install )
> make[1]: Entering directory `/usr/local/amber11/AmberTools/src/pbsa'
> cpp -traditional -P -DBINTRAJ amg1r5.f > _amg1r5.f
> gfortran -c -O3 -mtune=generic -ffree-form -o amg1r5.o _amg1r5.f
> _amg1r5.f:1204.16:
>
> ifg,a(jtrst),time,ndjtr,ium,mdjtr)
> 1
> Warning: Type mismatch in argument 'jtr' at (1); passed REAL(8) to INTEGER(4)
> _amg1r5.f:1217.58:
>
> call pcol(k-1,ierr,ia,ja,iw,imin,imax,imaxw,icg,ifg,u(irst), &
> 1
> Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(4)
> _amg1r5.f:1224.26:
>
> imaxw,ifg,icg,u(irst),time,ierr,irow0,ncolx, &
> 1
> Warning: Type mismatch in argument 'ncolor' at (1); passed REAL(8)
> to INTEGER(4)
> _amg1r5.f:1232.16:
>
> ifg,u(irst),nstcol,ncolx,time,nda,ndja,ium, &
> 1
> Warning: Type mismatch in argument 'ncolor' at (1); passed REAL(8)
> to INTEGER(4)
> _amg1r5.f:3461.23:
>
> external idec,random
> 1
> Error: Return type mismatch of function 'random' at (1) (REAL(8)/REAL(4))
> _amg1r5.f:3029.45:
>
> ja(jlo),a(jlo),f(ilo),u(ilo),nsp,a(jhi+1),a(jhi+1), &
> 1
> Warning: Type mismatch in argument 'isp' at (1); passed REAL(8) to INTEGER(4)
> _amg1r5.f:3095.45:
>
> ja(jlo),a(jlo),f(ilo),u(ilo),nsp,a(jhi+1),a(jhi+1), &
> 1
> Warning: Type mismatch in argument 'isp' at (1); passed REAL(8) to INTEGER(4)
> _amg1r5.f:3619.17:
>
> external cgalf,cgeps,ctime
> 1
> Error: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
> _amg1r5.f:3619.23:
>
> external cgalf,cgeps,ctime
> 1
> Error: Return type mismatch of function 'cgeps' at (1) (REAL(8)/REAL(4))
> make[1]: *** [amg1r5.o] Error 1
> make[1]: Leaving directory `/usr/local/amber11/AmberTools/src/pbsa'
> make: *** [serial] Error 2
> root.gig64:/usr/local/amber11/AmberTools/src#
>
> Thanks for your kind attention
>
> francesco pietra



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Received on Fri Sep 30 2011 - 05:00:02 PDT
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