AMBER Archive (2004)

Subject: Re: AMBER: Test run error in amber8 : IBM-AIX

From: Jiten (jiten_at_postech.ac.kr)
Date: Tue Jun 29 2004 - 20:19:43 CDT

Hello Dr. Carlos Sosa,

I tried as suggested by Prof David and recompiled amber8

>USE_BLASLIB=$(SOURCE_COMPILED)
> USE_LAPACKLIB=$(SOURCE_COMPILED)

Even in this case I notice the same error massage when I run the make test

In the ./test/rdc directory I found that gcg.dip.o is not completed.

                  Done reading weight changes/NMR restraints

 Alignment info will be read from file: RST.dip
 Here are comments from the alignment input file:

 Number of triangulated 3-point waters found: 0

---------------------------------------------------------------------------- 

----
   4.  RESULTS
----------------------------------------------------------------------------
----

------------

Here I provide the error massage for your reference.

        cd rdc; ./Run.dip
libblas: On entry to DSPEV  parameter number 1 had an illegal value
diffing gcg.dip.o.save with gcg.dip.o
possible FAILURE:  check gcg.dip.o.dif
==============================================================
rm: restrt: A file or directory in the path name does not exist.
        cd tgtmd/change_target; ./Run.tgtmd
SANDER: Targeted MD with changing target
Segmentation fault (core dumped)
  ./Run.tgtmd:  Program error
make: 1254-004 The error code from the last command is 1.

Stop.
----

Could you suggest me where I need to modify and compiled amber8 properly.

With regards,

Jiten

----- Original Message ----- 
From: "David A. Case" <case_at_scripps.edu>
To: <amber_at_scripps.edu>
Sent: Wednesday, June 30, 2004 12:00 AM
Subject: Re: AMBER: Test run error in amber8 : IBM-AIX

> On Tue, Jun 29, 2004, Jiten wrote:
> >
> > Today I have installed amber8 in IBM-AIX. While doing the make test I
come
> > across the follwing error,
> >
> >         cd rdc; ./Run.dip
> > libblas: On entry to DSPEV  parameter number 1 had an illegal value
> > diffing gcg.dip.o.save with gcg.dip.o
> > possible FAILURE:  check gcg.dip.o.dif
>
> You should do what the message recommends: "check gcg.dip.o.dif".  You
might
> try setting "SOURCE_COMPILED as the value for USE_BLASLIB and
USE_LAPACKLIB
> in you config.h:
>
> USE_BLASLIB=$(SOURCE_COMPILED)
> USE_LAPACKLIB=$(SOURCE_COMPILED)
>
> You might also try contacting Carlos Sosa <cpsosa_at_us.ibm.com>, who is the
IBM
> support person for Amber.
>
> .....dac
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu