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<div class=Section1>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'>Hello
Molpro developers,<o:p></o:p></span></p>
<p class=MsoListParagraph><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'>I
have a specific query,<o:p></o:p></span></p>
<p class=MsoNormal style='text-indent:.5in'><span style='font-size:10.0pt;
font-family:"Courier New"'>1. The following verification tests failures are
reported for ‘make quickest’, This failures happens when the libacml_mv.so’s
high precision vector math routines are linked to the malpro.<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>ar2_dk_dummy.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>bccd_save.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>c2h4_prop.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>cn_tranh.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>cn_uno.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>dftacg_h2o_vdz.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>form_optlmp2.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_cfit.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_cfit_opt.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_cosmo_opt.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_dft.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_direct.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_extrapolate.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_extrapol_proc.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_freq.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_local.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_numfreq.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_opt_dflmp2.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_opt.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_optrs2.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_select.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_userop.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_vdztest<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>h2o_vdz_qcisd.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>o2_rs2.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>o2_vdz.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:1.25in;text-indent:-.25in;
mso-list:l0 level1 lfo3'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>sf6_dk.test<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l3 level1 lfo2'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>So
the query is “The reference h2o_dft.out has the deviations in the precision
values when compared to the vector routine’s h2o_dft.errout for the same test
case h2o_dft.test. Is it ok to go ahead by ignoring these failures since they seems
to be more precise ?”. Please also let us know the permissible precision
levels. <o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l3 level1 lfo2'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>The
sample reference and vector routines outputs for the test case “h2o_dft.test”
has been attached. <o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in'><span style='font-size:
10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'>Other
details,<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l2 level1 lfo4'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>Molpro
version - molpro2008.2<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l2 level1 lfo4'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>ACML-libm
version - 2.1<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l2 level1 lfo4'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>SUSE
Linux Enterprise Server 11 (x86_64)<o:p></o:p></span></p>
<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
mso-list:l2 level1 lfo4'><![if !supportLists]><span style='font-size:10.0pt'><span
style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'>
</span></span></span><![endif]><span style='font-size:10.0pt;font-family:"Courier New"'>Open64
compiler<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'>Do
let me know if any other details are required.<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'><br>
Thanks and regards,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Courier New"'>Raghu<o:p></o:p></span></p>
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