Itanium2/ DSYMV and DGEMV problem
Jacek Klos
jakl at tiger.chem.uw.edu.pl
Thu Aug 7 14:44:40 BST 2003
Dear Matt,
The missing symbols where:
/usr/lib/liblapack.so: undefined reference to `e_wsfe'
/usr/lib/liblapack.so: undefined reference to `do_fio'
/usr/lib/liblapack.so: undefined reference to `s_wsfe'
I made sure I was loading efc and ecc variables to the path.
All of the testjobs fail in similar way:
--------------------------------------------------------------
ATOMIC COORDINATES
NR ATOM CHARGE X Y Z
1 O1 8.00 0.000000000 0.000000000 0.000000000
2 O2 8.00 0.000000000 194.223798607 -1.834644276
3 H1 1.00 0.000000000 0.000000000 1.818124271
4 H2 1.00 0.000000000 1.770359046 -0.465961176
5 H3 1.00 -1.442282598 194.500453543 -2.911293765
6 H4 1.00 1.442282598 194.500453543 -2.911293765
Bond lengths in Bohr (Angstrom)
1--3 1.818124271 1--4 1.830653154 2--5 1.820958860 2--6
1.820958860
(0.962110000) (0.968740000) (0.963610000)
(0.963610000)
Bond angles
3--1--4 104.74590000 5--2--6 104.75419301
NUCLEAR CHARGE: 20
NUMBER OF PRIMITIVE AOS: 118
NUMBER OF SYMMETRY AOS: 114
NUMBER OF CONTRACTIONS: 82 ( 82A )
NUMBER OF CORE ORBITALS: 2 ( 2A )
NUMBER OF VALENCE ORBITALS: 12 ( 12A )
NUCLEAR REPULSION ENERGY 18.76461349
EXTRA SYMMETRY OF AOS IN SYMMETRY 1: 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 2
1 1 1 2 2 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 1 1 1 2 1 1 2 1 1 1
1 1 2 1 1 2 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3
3 3
** On entry to DGEMV parameter number 6 had an illegal value
ERROR EXIT
CURRENT STACK: MAIN
----------------------------------------
in the same place.
I am not sure what you mean by backtrace. You mean using debugger?
I am afraid that I don't have access to alpha version.
Best regards
--
Jacek A. Klos
---------------------------------
Quantum Chemistry Laboratory |
Department of Chemistry |
University of Warsaw |
Pasteura 1 Street |
02-093 Warsaw |
Poland |
(+4822)8220211 ext. 213 |
e-mail: jakl at tiger.chem.uw.edu.pl|
---------------------------------
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