AMBER Archive (2007)

Subject: Re: AMBER: Problems during compilation and test.

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Thu Apr 05 2007 - 21:11:30 CDT

Hi,

On Thu, 5 Apr 2007, Liang, Lei wrote:

> There are the errors we got during the compilation and test:
>
> 1. Following the steps below:
> ./configure compaqf90
> make serial
> we get the error:
> --------------^
> cc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O -std1 -o analyze.o
> analyze.c
> cc: Error: analyze.c, line 470: Invalid statement. (badstmt)
> eigval = (double *) safe_malloc(nelem * sizeof(double)); //
> for the eigenvalues
> ---------------------------------------------------------------------^

The C preprocessor on your platform is not stripping C++ style comments.
These comments do not appear in amber8 or amber9 but in the
unreleased development version of amber.
Do not use this list for development code issues.
I'll fix these comments in cvs.

> 2. Then we try to modify the config.h:
> a. use '-std' instead of '-std1' for the cc compiler

Because ANSI C99 supports C++ style comments,
but we shall probably try to stay C89 compliant.

http://en.wikipedia.org/wiki/C_(programming_language)#C99

> b. add an extra default compile command for '.f90' files to compile
> $AMBERHOME/src/build_amoeba/amoeba_parm.f90

Send the details of your patch for this to the developers list.

> Now the compilation is successful.
> c. run 'make test.serial'
> we get the following error:
>
> > 1. CXML-BLAS-Fatal, ZHEEV - Parameter 8 has illegal value
> > 2. CXML-BLAS-Fatal, DSYEVX - Parameter 17 has illegal value

More information is required: which test is failing.
Send the details to the developers list.

Scott

> The information of our system and compiler is:
> system: OSF1 V5.1 2650 alpha
> compiler: Compaq Fortran V5.5-2602
> Compaq Fortran Compiler X5.5-2602-48C8L

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