Re: [AMBER-Developers] Compilation of AMBER Tools

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 8 Jun 2011 23:58:51 -0700

> Someone could try to find out what we used to do with the "allocatable"
> statements that gfortran 4.1.2 was happy with. Then we could consider
> what to
> do. But basically, since RedHat came out with an official gcc44 (and
> later)
> packages, we've been telling people to install more recent compilers.

We used pointers I believe. Since the allocatable argument inside a
structure is F2003 if I remember correctly. We could just switch back to
that to avoid issues.
 
> > eff.c(25): warning #161: unrecognized #pragma
> > #pragma omp parallel reduction (+: e_cons) private (i, rx, ry, rz,
> rw)
>
> This is just a warning, and I think all versions of the Intel compilers
> spew
> them out. It just means that you are compiling a non-openmp version of
> NAB.
> Maybe someone knows a flag to suppress this warning, but it's harmless.

Sorry, the error is at the end, I missed cutting it:


sff2.c(7632): warning #161: unrecognized #pragma
  #pragma omp for
          ^

mm_options.l(31): error: identifier "hcp_h" is undefined
  { ECHO; hcp_h = atof( &mmotext[6] ); }
          ^

mm_options.l(139): error: identifier "cutres" is undefined
  { ECHO; cutres = atof( &mmotext[7] ); }
          ^

compilation aborted for sff.c (code 2)
make[1]: *** [sff.o] Error 2
make[1]: Leaving directory `/usr/local/amber12_git/amber/AmberTools/src/sff'
make: *** [serial] Error 2

All the best
Ross

/\
\/
|\oss Walker

---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Thu Jun 09 2011 - 00:00:06 PDT
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