intel complier problem
James A.J. Fitzpatrick
j.fitzpatrick at bristol.ac.uk
Mon Jun 10 10:18:41 BST 2002
Dear Molpro Users,
I am experimenting with using the intel f95 compiler at the moment and
it compiles on a Intel based beowulf cluster with intel compiled blas
and lapack libs but does not appear to run, it hangs...as shown below,
can anybody provide any assistance.
Many thanks in advance,
James Fitzpatrick.
***,
memory,20,m
geometry={he}
basis={
spd,he,vtz
}
rhf
---
1
*** PROGRAM SYSTEM MOLPRO ***
Copyright, University of
Birmingham, 1997
Version 2002.4 linked 10 Jun 2002
10:11:43
**********************************************************************************************************************************
LABEL *
Linux-2.4.18P4_smp_master/dirac.beo.org(i686) 32 bit version
DATE: 10-Jun-02 TIME: 10:13:58
**********************************************************************************************************************************
Installed patches: blas5 cc_ifc chgfracfix cilssym drv2el_llmp2 ecp_parse
fitmos ibm64_gmainv linuxconf linuxtune
molproc_cray molproc_ibm
myrinetports opt_linear_triatomic p3_mkl parse_ibm
rccsd rilmp2g_5
rs2grad t1diag_uccsd2 test_cfit
Develop Directory: /home/chjajf/intel/proj
Included files: basis_ao_prop.f basis_integral_shells.f
hyperfine_main.f hyperfine_trans.f min2d_powell.f scfpr2.f
user.f
Modules: develop doc
**********************************************************************************************************************************
Variable memory set to 20000000 words, buffer space 230000 words
Using spherical harmonics
--
James A.J. Fitzpatrick
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
Telephone (Office) : +44 117 928 9938,
Telephone (Lab) : +44 117 928 8187
Fax : +44 117 925 0612
E-mail : j.fitzpatrick at bris.ac.uk
Web : http://www.chm.bris.ac.uk/~chjajf
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