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Date: Thu, 26 Aug 2004 16:35:46 -0700
From: Edoardo Apra <edoardo.apra@pnl.gov>
Subject: Re: make dbl_to_sngl error
In-reply-to: <412E6F87.7030800@cray.com>
To: Ted Packwood <malice@cray.com>
Cc: NWChem Users <nwchem-users@emsl.pnl.gov>
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Ted
thanks for reporting this.
Edo
Ted Packwood wrote:

> Hi there-
>
> It appears there is a problem with the "make dbl_to_sngl"
> script on the X1.  Some of the files are named with either
> .F or .f and the make script is expecting the opposite.
> I can easily hand-edit the make scripts but thought someone
> should address them in the distribution source.
>
> Ted
>
> % pwd
> /stage/malice/nwchem-4.6/src/NWints/ecp
> % ls ecp_cart_xpd*
> ecp_cart_xpd.F
> % ls ecp_cstrans*
> ecp_cstrans.F
>
> % make dbl_to_sngl
> /stage/malice/nwchem-4.6/bin/cray-sv2/depend.x
> -I/stage/malice/nwchem-4.6/src/tools/include > dependencies
> /stage/malice/nwchem-4.6/src/config/dbl_to_sngl ecp_bess_pow.f 
> ecp_cart_xpd.f
> ecp_cstrans.f ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F 
> ecp_int0.F
> ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F 
> ecp_local2.F
> ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f
> ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t2_p0pow.F
> ecp_t2_p1pow.F ecp_skipint.F int_ecp.F
> converting ecp_bess_pow.f to single precision
> [1] 211949
> converting ecp_cart_xpd.f to single precision
> [2] 211922
> converting ecp_cstrans.f to single precision
> [3] 211936
> converting ecp_grad_a.F to single precision
> [4] 211950
> Could not open file: ecp_cart_xpd.f.211922
> Could not open file: ecp_cstrans.f.211936
> [4]    Done                 ( $perlexe $perlscript $file )
> [3]  + Exit 2               ( $perlexe $perlscript $file )
> [2]  + Exit 2               ( $perlexe $perlscript $file )
> [1]  + Done                 ( $perlexe $perlscript $file )
>
>
> Here is the full list of problem files:
> % grep -i "could not" Make.dbl_to_sngl.log
> Could not open file: ecp_cart_xpd.f.210492
> Could not open file: ecp_cstrans.f.210496
> Could not open file: xc_quadv0_a.F.210746
> Could not open file: xc_quadv1.F.210718
> Could not open file: dft_second.F.210772
> Could not open file: new_eval_gb.F.210777
> Could not open file: xc_d2expl.F.210963
> Could not open file: xc_rhogen_nucder.F.210965
> Could not open file: xc_rhogen_pert.F.210966
> Could not open file: xc_tabcd_cpks_lhs.F.210949
> Could not open file: xc_tabcd_cpks_rhs.F.210971
>
> --
> ()_____________________________________________________)
>   | Ted Packwood             Cray Inc.                 |
>   | malice@cray.com          1340 Mendota Heights Rd.  |
>   | Chemistry Applications   Mendota Heights, MN 55120 |
>   | (651) 605-9037           http://www.cray.com       |
> ()_____________________________________________________)
>
> "Bugs - job security, causes of insomnia, crunchy things
> to eat on Fear Factor" - Ted Packwood, 2004
>


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