[molpro-user] Unable to finish building molpro 2009.1

[Andy May]

This problem does not occur when building Molpro 2009.1 out of the box.
Shenggang had modified pseudo.libmol in a way which caused this crash.

Best wishes,

Andy

Shenggang Li wrote:
> I posted this message using another email address, which was not on the
> molpro user's mailing list.  Here I would like to post it again.
>  
> I am getting the following error message when building molpro 2009.1
> patch level 1 on a dual-processor Xeon cluster.  I am using GA version
> 4.2 with tcgmsg.  The compiler is Intel version 9.1 with MKL 9.1.  I get
> the same error when trying to build it on Altix with Itanium 2
> processors.  Could someone please help me?  Thanks,
> 
> Seward auxiliary files created successfully
> /bin/sh: line 1:  8554 Segmentation fault      ../utilities/libmol.exe
> index 631g.libmol ahlrichs_cfit.libmol ahlrichs_mp2fit.libmol
> ahlrichs_pvdz.libmol ahlrichs_tzv.libmol ahlrichs_vdz.libmol
> ahlrichs_vtz.libmol aug_cc_pcv5z.libmol aug_cc_pcvdz.libmol
> aug_cc_pcvqz.libmol aug_cc_pcvtz.libmol aug-cc-pv5+dv.libmol
> aug_cc_pv5z.libmol aug-cc-pv6+dv.libmol aug_cc_pv6z.libmol aug-cc-
> pvd+dv.libmol aug_cc_pvdz.libmol aug-cc-pvq+dv.libmol
> aug_cc_pvqz.libmol aug-cc-pvt+dv.libmol aug_cc_pvtz.libmol
> aug_cc_pwcv5z.libmol aug_cc_pwcvdz.libmol aug_cc_pwcvqz.libmol
> aug_cc_pwcvtz.libmol binning_sv.libmol binning_svp.libmol
> binning_vtz.libmol binning_vtzp.libmol cardiff_mp2fit.libmol
> cc_ca.libmol ccextra.libmol cc_libe.libmol cc_namg.libmol
> cc_pcv5z.libmol cc_pcvdz.libmol cc_pcvqz.libmol cc_pcvtz.libmol cc-
> pv5+dv.libmol cc_pv5z_dk.libmol cc_pv5z.libmol cc-pv6+dv.libmol
> cc_pv6z.libmol cc_pv6z_old.libmol cc-pvd+dv.libmol cc_pvdz_dk.libmol
> cc_pvdz_f12.libmol cc_pvdz.libmol cc-pvq+dv.libmol cc_pvqz_dk.libmol
> cc_pvqz_f12.libmol cc_pvqz.libmol cc-pvt+dv.libmol cc_pvtz_dk.libmol
> cc_pvtz_f12.libmol cc_pvtz.libmol cc_pwcv5z.libmol cc_pwcvdz.libmol
> cc_pwcvqz.libmol cc_pwcvtz.libmol chipman.libmol cwb.libmol
> daug_cc_pv5z.libmol daug_cc_pv6z.libmol daug_cc_pvdz.libmol
> daug_cc_pvqz.libmol daug_cc_pvtz.libmol def2-qzvpp-jkfit.libmol
> demon_cfit.libmol dgauss_a1_cfit.libmol dgauss_a1_xfit.libmol
> dgauss_a2_cfit.libmol dgauss_a2_xfit.libmol dunning_dz.libmol
> dunning_dzp.libmol dunning_dzp_plus.libmol dunning.libmol
> dunning_sv.libmol dunning_svp.libmol dunning_svp_plus.libmol
> dunning_tz.libmol dzvp2_dft_orb.libmol dzvp_dft_orb.libmol
> gamess_pvtz.libmol gamess_vtz.libmol gaussian.libmol hayd.libmol
> hayecp.libmol huzinaga.libmol lanl2dz.libmol mclean.libmol
> midi_bang.libmol midi.libmol mini.libmol mini_scaled.libmol misc.libmol
> oepbas.libmol partridge1.libmol partridge2.libmol partridge3.libmol
> partridge.libmol poisson_mp2fit.libmol pseudo_add.libmol pseudo.libmol
> pseudo_mod.libmol pv6z.libmol pv7z.libmol roos1.libmol roos2.libmol
> rydberg1.libmol rydberg2.libmol rydberg3.libmol rydberg4.libmol
> rydberg5.libmol sbkjc.libmol sto2g.libmol sto3g.libmol sto3gs.libmol
> sto6g.libmol sto6gs.libmol tzvp_dft_orb.libmol v.libmol wachters.libmol
> weigend_jkfit_aug.libmol weigend_jkfit.libmol wsu_avnz_dk.libmol
> wsu_avnz.libmol wsu_awcvnz_dk.libmol wsu_awcvnz.libmol
> wsu_f12fit.libmol wsu_vnz_dk.libmol wsu_vnz.libmol wsu_wcvnz_dk.libmol
> wsu_wcvnz.libmol >LIBMOL.log
> Basis library index failed
> make[1]: *** [libmol.index] Error 1
> make[1]: Leaving directory `/ifs2/home/sli/source/molpro2009.1/lib'
> make: *** [lib] Error 2
> 
> -- 
> Shenggang Li
> 
> Department of Chemistry
> University of Alabama
> Tuscaloosa, AL 35401
> 
> 
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> 
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