May 2013 Archives by subject

• Messages sorted by: [ thread ] [ author ] [ date ]

Starting: Wed May 1 09:51:47 BST 2013
Ending: Fri May 31 20:11:39 BST 2013
Messages: 73

• [molpro-user] "Decompression error" with parallel molpro   R. David
• [molpro-user] "Decompression error" with parallel molpro   Andy May
• [molpro-user] ?REQUESTED TRDEN NOT FOUND IN RECORD   diwaker kumar
• [molpro-user] ?REQUESTED TRDEN NOT FOUND IN RECORD   george
• [molpro-user] analytic gradients not used during geometry optimization when proc specified   Benj FitzPatrick
• [molpro-user] analytic gradients not used during geometry optimization when proc specified   Werner Gyorffy
• [molpro-user] analytic gradients not used during geometry optimization when proc specified   Benj FitzPatrick
• [molpro-user] analytic gradients not used during geometry optimization when proc specified   Werner Gyorffy
• [molpro-user] Calculation for excited Ne+   Lorenzo Lodi
• [molpro-user] Calculation for excited Ne+   enrico bodo
• [molpro-user] Calculation for excited Ne+   Terry Frankcombe
• [molpro-user] Calculation for excited Ne+   Lorenzo Lodi
• [molpro-user] Calculation for excited Ne+   Enrico Bodo
• [molpro-user] Calculation for excited Ne+   Enrico Bodo
• [molpro-user] Can CCSD/EOM-CCSD part be run in parallel using OMP/MPI hybrid scheme?   Evgeniy Gromov
• [molpro-user] Can CCSD/EOM-CCSD part be run in parallel using OMP/MPI hybrid scheme?   Andy May
• [molpro-user] ddr   Leila Zeidabadi
• [molpro-user] Differences between 2010.1 and 2012.1 (UKS)   Javier Cerezo
• [molpro-user] Differences between 2010.1 and 2012.1 (UKS)   Javier Cerezo
• [molpro-user] Differences between 2010.1 and 2012.1 (UKS)   Gerald Knizia
• [molpro-user] Dummy atoms when using integral program Argos   Evgeniy Gromov
• [molpro-user] freeze virtual   Jacek Koput
• [molpro-user] freeze virtual   Peterson, Kirk
• [molpro-user] Fwd: How to get transformed two electron integrals printed   Stephen Walch
• [molpro-user] Fwd: How to get transformed two electron integrals printed   Peter Knowles
• [molpro-user] help needed   diwaker kumar
• [molpro-user] help needed   Andy May
• [molpro-user] help needed   Peterson, Kirk
• [molpro-user] HF convergence   Diana Rodríguez
• [molpro-user] HF convergence   Gerald Knizia
• [molpro-user] HF convergence   Benj FitzPatrick
• [molpro-user] HOMO/PBE0 functional   Faouzi Najjar
• [molpro-user] How can one use Argos integral program (sorry if this post appears twice)   Evgeniy Gromov
• [molpro-user] Huge Davidson cluster corrections   Zork Zou
• [molpro-user] Making tuning after Molpro installation   Evgeniy Gromov
• [molpro-user] Making tuning after Molpro installation   Andy May
• [molpro-user] Making tuning after Molpro installation   Sve N
• [molpro-user] Making tuning after Molpro installation   Andy May
• [molpro-user] molpro command not found   elkeshavarz5 at sci.ui.ac.ir
• [molpro-user] molpro command not found   Andy May
• [molpro-user] molpro command not found   elkeshavarz5 at sci.ui.ac.ir
• [molpro-user] molpro command not found   Muammar El Khatib
• [molpro-user] MolPro problem in HEAD NODE of CLUSTER   SAIKAT MUKHERJEE
• [molpro-user] MolPro problem in HEAD NODE of CLUSTER   Andy May
• [molpro-user] MolPro problem in HEAD NODE of CLUSTER   Jeff Hammond
• [molpro-user] Nacme   Leila Zeidabadi
• [molpro-user] problem in counterpoise correction   Shachar Klaiman
• [molpro-user] problem in counterpoise correction   Grant Hill
• [molpro-user] Problems building parallel version of Molpro 2012.1 with Intel Fortran Compiler 13.0.1   Robert Polly
• [molpro-user] Problems building parallel version of Molpro 2012.1 with Intel Fortran Compiler 13.0.1   Andy May
• [molpro-user] query   diwaker kumar
• [molpro-user] query   Peterson, Kirk
• [molpro-user] Question about "REF"   pauli
• [molpro-user] Question about MRCI   molpro_user
• [molpro-user] sysid   elkeshavarz5 at sci.ui.ac.ir
• [molpro-user] sysid   Andy May
• [molpro-user] The optimal number of helper processes in parallel Molpro runs   Evgeniy Gromov
• [molpro-user] The optimal number of helper processes in parallel Molpro runs   Manhui Wang
• [molpro-user] The smallest exponent that can be used to specify a basis function   Evgeniy Gromov
• [molpro-user] The smallest exponent that can be used to specify a basis function   Jeff Hammond
• [molpro-user] The smallest exponent that can be used to specify a basis function   Tatiana Korona
• [molpro-user] The smallest exponent that can be used to specify a basis function   Evgeniy Gromov
• [molpro-user] The smallest exponent that can be used to specify a basis function   Gerald Knizia
• [molpro-user] The smallest exponent that can be used to specify a basis function   Tatiana Korona
• [molpro-user] The smallest exponent that can be used to specify a basis function   Gerald Knizia
• [molpro-user] This is a serious error. Please contact Molpro support   Shachar Klaiman
• [molpro-user] This is a serious error. Please contact Molpro support   Tatiana Korona
• [molpro-user] threshhold value   diwaker kumar
• [molpro-user] threshhold value   Peterson, Kirk
• [molpro-user] version 2012 with intel 13.1.1 and openmpi 1.6.4   Shachar Klaiman
• [molpro-user] version 2012 with intel 13.1.1 and openmpi 1.6.4   Jeff Hammond
• [molpro-user] version 2012 with intel 13.1.1 and openmpi 1.6.4   Andy May
• [molpro-user] version 2012 with intel 13.1.1 and openmpi 1.6.4   Jeff Hammond

Last message date: Fri May 31 20:11:39 BST 2013
Archived on: Fri Apr 4 12:08:50 BST 2014

• Messages sorted by: [ thread ] [ author ] [ date ]