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 > >

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