'make test' fails utterly

[Peter Knowles]

This is almost certainly a result of an invalid licence key. Our
apologies that this is not obvious from what you see!
Please check the -k option in molpro2000.1/bin/molpro.rc
Best regards
Peter Knowles
Matthew Elrod wrote at 15:26 on 21 February 2001:
 > Hello,
 > 
 > I am installing Molpro 2000.1 on a Pentium III system running Linux RedHat 
 > 6.2.  I compiled and installed patches.  However, when I run 'make test', 
 > all test jobs immediately terminate.  For example, the first test job gives 
 > these messages:
 > 
 > Running test job h2o_vdz.test
 > Received signal 11Unknown error 4294967295
 > Received signal 8Unknown error 4294967295
 > **** PROBLEMS WITH TEST JOB h2o_vdz.test
 > h2o_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output
 > **** For further information, look in the output file testjobs/h2o_vdz.errout
 > **** in the directory
 > 
 > and the output file is the following:
 > 
 > Including file /usr/local/molpro2000.1/testjobs/../bin/molproi.rc
 >                                                                              
 >        ! $Revision: 99.3 $
 >   memory,1,m
 >   method=[int,hf,ci,cepa(0),cepa(1),cepa(2),cepa(3),mp2,mp3,mp4,ccsd,qci,bcc 
 > method=[int,hf,ci,cepa(0),cepa(1),cepa(2),cepa(3),mp2,mp3,mp4,ccsd,qci,bccd, 
 > ccsd(t),qci(t),bccd(t),multi,mrci,acpf,rs2,rs3,ks,dft]
 >   dfuncs=[s-vwn,b-lyp]
 >   gthresh,energy=1.d-8
 >   basis=vdz
 >   geometry={o;h1,o,r;h2,o,r,h1,theta}
 >   r=1 ang
 >   theta=104
 >   ii=0
 >   do i=1,#method
 >   m=method(i)
 >   if(m.eq.'DFT'.or.m.eq.'KS') then
 >     do k=1,#dfuncs
 >       df=dfuncs(k)
 >       $m
 >       ii=ii+1
 >       prog(ii)='$m/$df'
 >       if (m.eq.'DFT') then
 >         e(ii)=dftfun
 >         dip(ii)=0
 >       else
 >         e(ii)=energy
 >         dip(ii)=dmz
 >       endif
 >     enddo
 >   else
 >     $m
 >     if(#energt.ne.0) then
 >       do j=1,#energt
 >         ii=ii+1
 >         prog(ii)=methodt(j)
 >         e(ii)=energt(j)
 >         dip(ii)=0
 >       enddo
 >     else
 >       ii=ii+1
 >       prog(ii)=program
 >       e(ii)=energy
 >       dip(ii)=dmz
 >     endif
 >     if(m.eq.'mrci'.or.m.eq.'ci') then
 >       ii=ii+1
 >       prog(ii)='$program+Q'
 >       e(ii)=energd
 >       dip(ii)=dmz
 >       ii=ii+1
 >       prog(ii)='$program+P'
 >       e(ii)=energp
 >       dip(ii)=dmz
 >     endif
 >   endif
 >   enddo
 >                                                                              
 >        !ks,b,lyp
 >                                                                              
 >        !dft,b,lyp
 > 
 >   eold=[ .00000000, -76.02145798, -76.22726984, -76.23850568, -76.23592809, 
 > -76.23936891\\
 >       -76.23587193, -76.23833103, -76.23350155, -76.22620594, -76.23280696, 
 > -76.23861751\\
 >       -76.23580212, -76.23596232, -76.23565830, -76.23905150, -76.23914975, 
 > -76.23898946]
 >   eold(19:)=[-76.23912316, -76.23932311, -76.23898465, -76.23898465, 
 > -76.07843443, -76.23369823\\
 >       -76.23956538, -76.23818209, -76.23820183, -76.22602777, -76.23549455, 
 > -75.85435417\\
 >       -76.39801085,  -8.76610443,  -9.31069015]
 > 
 >   dipold=[ 
 > .00000000,.82747522,.78514865,.78514865,.78514865,.75805513,.76853849\\
 >            .76182403,.77404382,.00000000,.00000000,.00000000,.00000000,.0000 
 > .76182403,.77404382,.00000000,.00000000,.00000000,.00000000,.00000000\\
 >            .00000000,.00000000,.00000000,.00000000]
 >   dipold(19:)=[.00000000,.00000000,.00000000,.00000000,.76285505,.76875475\\
 >                .76875475,.76875475,.76881763,.75872358,.75872358,.77644781\\
 >                .72993177,.00000000,.00000000]
 > 
 >   dele=max(abs(e-eold))
 >   deld=max(abs(dip-dipold))
 > 
 >   if(dele.gt.1.d-7.or.deld.gt.1.d-4) then
 >   table,prog,e,e-eold,dip,dip-dipold
 >   save,test.log
 >   title,Results for job h2o_vdz.com
 >   title,ERRORS DETECTED in h2o_vdz.test. Max error for energy=$dele, max 
 > error for dipole=$deld
 >   else
 >   table,prog,e,dip
 >   save,test.log
 >   title,Results for job h2o_vdz.com
 >   title,No errors in h2o_vdz.test, max error for energy=$dele, max error 
 > for dipole=$deld
 >   endif
 > 
 >   ERROR EXIT
 > 
 > 
 >   ************************************************************************** 
 > **************************************************************************** 
 > ******************************************************
 >   Symmetry will not be used
 > 
 >   ERROR EXIT
 > 
 >   RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST
 > 
 >   EMERGENCY STOP
 > h2o_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output
 > 
 > Any advice would be appreciated,
 > 
 > Matt Elrod
 > ---------------------------------------------------------------------------- 
 > -------------
 > Matthew Elrod                      Tel:  (616) 395 7629
 > Department of Chemistry    Fax:  (801) 697 4917
 > Hope College                        elrod at hope.edu
 > Holland, MI 49422-9000      http://www.chem.hope.edu/~elrod
 > 

-- 
Prof. Peter J. Knowles              
Email P.J.Knowles at bham.ac.uk  Phone +44-121-414-7472  Fax +44-121-414-7471
School of Chemistry, Univ. of Birmingham, Edgbaston, Birmingham, B15 2TT, UK.
WWW http://www.tc.bham.ac.uk/~peterk/