Dear Molpro users,<br>I installed the molpro 2006 version on my suse 10.3.But after installation when i am running my files,it is showing following error in output file<br>Please help me.<br><br><br> NUCLEAR REPULSION ENERGY 103.73708718<br>
<br><br> Eigenvalues of metric<br><br> 1 0.332E-02 0.432E-02 0.779E-02 0.144E-01 0.242E-01 0.317E-01 0.372E-01 0.386E-01<br><br><br> Contracted 2-electron integrals neglected if value below 1.0D-11<br> AO integral compression algorithm 1 Integral accuracy 1.0D-11<br>
<br> 31.719 MB (compressed) written to integral file ( 44.3%)<br><br> Node minimum: 31.719 MB, node maximum: 31.719 MB<br><br><br> NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 8386560. BUFFER LENGTH: 32768<br>
NUMBER OF SEGMENTS: 2 SEGMENT LENGTH: 6597528 RECORD LENGTH: 524288<br><br> Memory used in sort: 7.15 MW<br><br> SORT1 READ 9024764. AND WROTE 6994563. INTEGRALS IN 21 RECORDS. CPU TIME: 0.21 SEC, REAL TIME: 0.40 SEC<br>
SORT2 READ 6994563. AND WROTE 8386560. INTEGRALS IN 121 RECORDS. CPU TIME: 0.26 SEC, REAL TIME: 0.45 SEC<br><br> Node minimum: 8386560. Node maximum: 8386560. integrals<br><br> OPERATOR DM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000<br>
? Error<br> ? Called not implemented Molcas routine:<br> ? The problem occurs in sysabendmsg<br><br>Pratima<br><br><br><br>