The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Wang Yuan Xu,

I am wondering :
- Before the abinip calc., did the same job run with abinis (sequential)
of v.4.3.3 ?
- Before your own job, all the Test_* passed on SR11000 ?

The attached log message (Thanks, or Xiexie ni/Dozhe !)
apparently suggest that the error was encountered in "setup2"...
Is it so ? Seems strange, indeed... (This does not seem related to MPI 
....)

Best wishes,
Masayoshi

On 2004/10/04, at 17:15, WANG Yuan Xu wrote:

> Dear Abinit users,
>
> 	I compiled abinip of version 4.2.4 on Hitachi-SR11000 and it run very 
> well.
>     While when i compile abinip version 4.3.3 on same machine by same 
> makefile_macros, compile successful, but can not run jobs.
>     When I submmit job, it appear some error information.   who can 
> tell me why?
>        Mon Oct  4 16:57:48 JST 2004
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  KCHF141R argument 0.0000000000000000E+000 for dlog/dlog10 is 0 or 
> less.
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x000000010000800c  hf_err+0x4c4
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x0000000100097fd8  ppc_err+0xa8
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x000000010013565c  ._hf_dlog+0x168
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100439ee4  setup2+0x380
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x0000000100423ee8  gstate+0x7104
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010018fa64  driver+0x15988
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x000000010000486c  abinit+0x43e4
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
>  0x0000000100000334  __start+0x94
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 7
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 2
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 0
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 1
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 3
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 4
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 5
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 6
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 8
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 9
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 10
> ERROR: 0032-184 MPI was not finalized  in routine unknown, task 11
> Mon Oct  4 16:57:51 JST 2004
>
>
>   My makefile_macros is
>  This file contains the definitions needed for every possible script
> # to be used with the ABINIT makefiles.  It is very much 
> machine-dependent.
> # It is read by makemake and makearch.
>
> # This version for SR8000 (Hitachi) at TACC.
> # Please, read the README file
> # For the parallel version, an environmental setting for MPI is needed 
> :
> # setenv MPIR_HOME /usr/mpi
>
> # Explanations about this file can be found in the  
> makefile_macros_help file,
> # in the Infos subdirectory
>
> ####################################################################
> # For the sequential version
>
> # Machine type
> MACHINE=sr8k
> # Fortran optimized compilation
> FC=mpif90_r
>
>
> FFLAGS= -free -64
> FFLAGS_LIBS= -64
>
> # C preprocessor, used to preprocess the fortran source.
> CPP=/lib/cpp
> CPP_FLAGS=-P
> # C optimized compilation.
> CC=mpcc_r -q64
> CFLAGS=-O
> # Location of perl . Used to generate the script fldiff, in 
> ~ABINIT/Utilities .
> PERL=/usr/bin/perl
> # Definition of libraries
> BLAS=
> LIBS= $(LAPACK) -L/usr/local/lib -lblas
>
> AR_COMMAND= ar -X64
>
> ####################################################################
> # For the parallel version
> FFLAGS_PAR = $(FFLAGS) -I/usr/include/mpif.h
> LIBS_PAR = $(LIBS) -L/usr/lib/ -lmpi
> # This is a last line in makefile_macros ----------
>
>
>
> WANG Yuan Xu
> National Institute for Materials Science
> Computational Materials Science Center
> Namiki 1-1, Tsukuba 305-0044, Japan
> Phone +81-29-8513354-8092; Fax +81-29-8541207
> wang.yuanxu@nims.go.jp
> 2004-10-04