[molpro-user] Unknown Error 153
Nick Wilson
WilsonNT at Cardiff.ac.uk
Tue May 3 11:07:30 BST 2005
Dear Stephen,
It looks as if you're using molpro-mpp-2002.6-27.p4.rpm. There is a
newer rpm available (molpro-mpp-2002.6-85.p4.rpm) which is linked with
version 2.3 of glibc rather than 2.2 and this might possibly fix your
problem.
Best wishes,
Nick Wison
Stephen P. Molnar, Ph.D. wrote:
> I have just upgraded my SuSE linux partition from 9.0 to 9.3 and reinstalled
> MolPro.
>
> A test calculation of Methane generated Unknown error 153. Here is the end of
> the out file (entire file is attached):
>
> Received signal 4 Illegal instruction
>
> ERROR EXIT
> CURRENT STACK: MAIN
>
>
>
> **********************************************************************************************************************************
> DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
> 1 15 0.53 600 500 700 960
> 900 950 970 1000 1100 1400
> BASINP VAR GEOM ABASIS
> SYMINP ZMAT AOBASIS BASIS S T
> 1410 1200 1210 1080
> 1600
> V H0 H01 AOSYM
> SMH
>
> PROGRAMS * TOTAL HF-SCF
> CPU TIMES * 0.08 0.02
> REAL TIME * 0.13 SEC
> DISK USED * 0.92 MB
>
> **********************************************************************************************************************************
>
> GA ERROR termxy
>
> GA ERROR
>
> I have searched the manual and not found an error messages. Actually, I'm not
> sure if this GA a molpro error or a system error.
>
> Any help will be appreciated.
>
> Thanks in advance
>
>
>
> ------------------------------------------------------------------------
>
>
> MPP nodes nproc
> abnormal 1
> ga_uses_ma=true, calling ma_init with heap size 8010000 determined by size of -G / nprocs
>
> Primary working directories: /tmp/webmo/17
> Secondary working directories: /tmp/webmo/17
>
> blaslib=atlas
>
> MPP tuning parameters: Latency= 1000 Microseconds, Broadcast speed= 20 MB/sec
> default implementation of scratch files=df
>
> ***,
> Including file /usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molproi.rc
> ***,Ethane
>
> GEOMETRY={
> ANGSTROM
> C1
> H2 1 B1
> H3 1 B2 2 A1
> H4 1 B3 2 A2 3 D1
> H5 1 B4 2 A3 3 D2
> }
> B1=1.0900000
> B2=1.0900000
> B3=1.0900000
> B4=1.0900000
> A1=109.47122
> A2=109.47122
> D1=120.00000
> A3=109.47122
> D2=-120.0000
>
> BASIS=cc-pVTZ
> HF
>
>
> ---
>
> Variables initialized (303), CPU time= 0.00 sec
> Default parameters read. Elapsed time= 0.01 sec
> Checking input...
> Passed
> 1
>
>
> *** PROGRAM SYSTEM MOLPRO ***
> Copyright, University of Birmingham, 1997
>
> Version 2002.6 linked 7 Nov 2003 10:22:08
>
>
> **********************************************************************************************************************************
> LABEL * ETHANE
> Linux-2.6.11.4-20a-default/abnormal(i686) 32 bit mpp version DATE: 1-May-05 TIME: 09:18:46
> **********************************************************************************************************************************
>
> Installed patches: cidps_orthp configure_xeon darwin_conf dft_orbital_hi enest_dummy fujitsu-ssl2
> fujitsu_conf ga_conflict2 ia64root_check merge_orbdom mkl60 modelopt
> molden_orbital_normalization mpputil mxm_fujitsu nec_parse opteron2 patcher_printf
> posinp pseudo_libmol2 readop_multipole_nps sun_forte8
> **********************************************************************************************************************************
> SETTING B1 = 1.09000000
> SETTING B2 = 1.09000000
> SETTING B3 = 1.09000000
> SETTING B4 = 1.09000000
> SETTING A1 = 109.47122000
> SETTING A2 = 109.47122000
> SETTING D1 = 120.00000000
> SETTING A3 = 109.47122000
> SETTING D2 = -120.00000000
> SETTING BASIS = CC-PVTZ
>
> Variable memory set to 7272727 words, buffer space 230000 words
>
>
>
> Using spherical harmonics
>
>
> ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=******** IBASE=******** LTOP=-190462572 MEMSTACK=-186854220
>
> ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=******** IBASE=******** LTOP=-190462571 MEMSTACK=-186854220
> Library entry C S cc-pVTZ selected for orbital group 1
> Library entry C P cc-pVTZ selected for orbital group 1
> Library entry C D cc-pVTZ selected for orbital group 1
> Library entry C F cc-pVTZ selected for orbital group 1
> Library entry H S cc-pVTZ selected for orbital group 2
> Library entry H P cc-pVTZ selected for orbital group 2
> Library entry H D cc-pVTZ selected for orbital group 2
>
> ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=******** IBASE=******** LTOP=-190462329 MEMSTACK=-186854220
>
> ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=******** IBASE=******** LTOP=-190462328 MEMSTACK=-186854220
>
> 1PROGRAM * SEWARD (Integral evaluation for generally contracted gaussian basis sets) Author: Roland Lindh, 1990
>
> Geometry written to block 1 of record 700
>
> Orientation using atomic masses
> Molecule type: Spherical top, Neighbour degeneracy = 4
> Symmetry elements: X,Y
> Rotational constants: 158.2562401 158.2562401 158.2562382 GHz
>
> Point group C2v
>
>
>
> ATOMIC COORDINATES
>
> NR ATOM CHARGE X Y Z
>
> 1 C1 6.00 0.000000000 0.000000000 -0.000000002
> 2 H2 1.00 1.681820735 0.000000000 1.189226858
> 3 H3 1.00 -1.681820735 0.000000000 1.189226858
> 4 H4 1.00 0.000000000 -1.681820748 -1.189226844
> 5 H5 1.00 0.000000000 1.681820748 -1.189226844
>
> Bond lengths in Bohr (Angstrom)
>
> 1--2 2.059801328 1--3 2.059801328 1--4 2.059801328 1--5 2.059801328
> (1.090000000) (1.090000000) (1.090000000) (1.090000000)
>
> Bond angles
>
> 2--1--3 109.47122000 2--1--4 109.47122063 2--1--5 109.47122063 3--1--4 109.47122063
>
> 3--1--5 109.47122063 4--1--5 109.47122127
>
> NUCLEAR CHARGE: 10
> NUMBER OF PRIMITIVE AOS: 115
> NUMBER OF SYMMETRY AOS: 106
> NUMBER OF CONTRACTIONS: 86 ( 33A1 + 21B1 + 21B2 + 11A2 )
> NUMBER OF CORE ORBITALS: 1 ( 1A1 + 0B1 + 0B2 + 0A2 )
> NUMBER OF VALENCE ORBITALS: 8 ( 4A1 + 2B1 + 2B2 + 0A2 )
>
>
> NUCLEAR REPULSION ENERGY 13.43539022
>
>
> Eigenvalues of metric
>
> 1 0.127E-02 0.198E-02 0.394E-02 0.109E-01 0.126E-01 0.257E-01 0.292E-01 0.372E-01
> 2 0.198E-02 0.109E-01 0.257E-01 0.372E-01 0.735E-01 0.114E+00 0.129E+00 0.242E+00
> 3 0.198E-02 0.109E-01 0.257E-01 0.372E-01 0.735E-01 0.114E+00 0.129E+00 0.242E+00
> 4 0.292E-01 0.129E+00 0.273E+00 0.370E+00 0.486E+00 0.950E+00 0.995E+00 0.117E+01
>
>
> Contracted 2-electron integrals neglected if value below 1.0D-11
> Received signal 4 Illegal instruction
>
> ERROR EXIT
> CURRENT STACK: MAIN
>
>
> **********************************************************************************************************************************
> DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
> 1 15 0.53 600 500 700 960 900 950 970 1000 1100 1400
> BASINP VAR GEOM ABASIS SYMINP ZMAT AOBASIS BASIS S T
> 1410 1200 1210 1080 1600
> V H0 H01 AOSYM SMH
>
> PROGRAMS * TOTAL HF-SCF
> CPU TIMES * 0.08 0.02
> REAL TIME * 0.13 SEC
> DISK USED * 0.92 MB
> **********************************************************************************************************************************
>
> GA ERROR termxy
>
> GA ERROR 0:0:termxy:: 0
> 0:0:termxy:: 0
> Last System Error Message from Task 0:: Unknown error 153
> 0: ARMCI aborting 0 (0).
> 0: ARMCI aborting 0 (0).
> system error message: Unknown error 153
> tmp = /tmp/webmo/17/pdir//usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_p4_tcgmsg.exe.p
> Creating: host=abnormal, user=(null),
> file=/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_p4_tcgmsg.exe, port=32779
> 1: interrupt(1)
> WaitAll: No children or error in wait?
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