February 2014 Archives by date

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Starting: Mon Feb 3 12:29:05 UTC 2014
Ending: Fri Feb 28 23:48:58 UTC 2014
Messages: 75

• [CP2K:4919] CP2K - new version release - 2.4   stephen.s... at googlemail.com
• Warning on forces using DFT_PLUS_U LOWDIN. Implemented or not?   Gabriele
• Warning on forces using DFT_PLUS_U LOWDIN. Implemented or not?   Matthias Krack
• buglet with smear and uks   Matt W
• buglet with smear and uks   Matthias Krack
• buglet with smear and uks   Matt W
• Warning on forces using DFT_PLUS_U LOWDIN. Implemented or not?   Gabriele
• CP2K program flow (Flow chart)   bharat
• Warning on forces using DFT_PLUS_U LOWDIN. Implemented or not?   Matthias Krack
• NVE Calculation after NVT equilibration   huan... at mail.huji.ac.il
• [CP2K:4943] NVE Calculation after NVT equilibration   Mathieu Salanne
• Minnesota Functionals.   max mercy
• Jumps in Cons Qty   Ondrej Kroutil
• [CP2K:4945] Minnesota Functionals.   Iain Bethune
• too many steps in some test jobs   Jörg Saßmannshausen
• Building cp2k 2.4 with intel 13.1 and intel-mpi-4.1   Jason Wood
• [CP2K:4949] Building cp2k 2.4 with intel 13.1 and intel-mpi-4.1   Iain Bethune
• NVT Calculation - equilibrium state   mehr seven
• too many steps in some test jobs   Matt W
• Semiempirical QMMM calculation   bharat
• [CP2K:4952] Re: too many steps in some test jobs   Jörg Saßmannshausen
• non-local vdW and stress_tensor   Wei
• gmx2gromos   leila
• SE MD in CP2K   bharat
• Berry phase dipole + smearing   Matt W
• [CP2K:4958] Berry phase dipole + smearing   hut... at chem.uzh.ch
• [CP2K:4958] Berry phase dipole + smearing   Matt W
• [CP2K:4954] non-local vdW and stress_tensor   hut... at chem.uzh.ch
• [CP2K:4960] Berry phase dipole + smearing   hut... at chem.uzh.ch
• [CP2K:4956] Re: gmx2gromos   leila salimi
• Problem with MPI and CP2k   M. Brehm
• [CP2K:4964] Problem with MPI and CP2k   Iain Bethune
• [CP2K:4964] Problem with MPI and CP2k   M. Brehm
• Geometry optimisation converges to nonsense   hfruchtl
• Geometry optimisation converges to nonsense   Matt W
• [CP2K:4967] Geometry optimisation converges to nonsense   Jörg Saßmannshausen
• [CP2K:4957] SE MD in CP2K   hut... at chem.uzh.ch
• [CP2K:4969] SE MD in CP2K   Bharat Sharma
• Geometry optimisation converges to nonsense   Florian Schiffmann
• Upcoming CP2K training   Iain Bethune
• [CP2K:4972] Re: Geometry optimisation converges to nonsense   Michael Banck
• [CP2K:4267] Re: MD Problem   tarak karmakar
• QM/MM high temperature   tarak karmakar
• Geometry optimisation converges to nonsense   hfruchtl
• Print colvar without bias   Ider
• Geometry optimisation converges to nonsense   Florian Schiffmann
• cholesky problems even when preconditioner is turned off   Alex Vozny
• [CP2K:4980] cholesky problems even when preconditioner is turned off   Wei
• [CP2K:4613] ALMO   Marko Melander
• [CP2K:4969] SE MD in CP2K   bharat
• FFT, CUDA, and Parallelization   Tyler Gubb
• [CP2K:4984] FFT, CUDA, and Parallelization   Iain Bethune
• [CP2K:4984] FFT, CUDA, and Parallelization   Ole Schütt
• [CP2K:4980] cholesky problems even when preconditioner is turned off   Alex Vozny
• QM/MM high temperature   tarak karmakar
• CP2K version 2.5 released   Matthias Krack
• Print colvar without bias   Ider
• [CP2K:4992] Print colvar without bias   Teodoro Laino
• [CP2K:4952] Re: too many steps in some test jobs   Jörg Saßmannshausen
• cp2k Installation hangs at the status "creating makefile" when try to install in parallel at supercomputer.   Kalpna Jain
• error in the cp_fm_cholesky_decompose routine while doing a DFTB single point calculation   Torstein Fjermestad
• cp2k Installation hangs at the status "creating makefile" when try to install in parallel at supercomputer.   Matthias Krack
• [CP2K:4996] error in the cp_fm_cholesky_decompose routine while doing a DFTB single point calculation   hut... at chem.uzh.ch
• An error: 'ERRORL2 in cp_parser_methods:parser_get_real' how to solve?   Enlong Liu
• RELAX_MULTIPLICITY   koedd... at scai.fraunhofer.de
• An error: 'ERRORL2 in cp_parser_methods:parser_get_real' how to solve?   Matt W
• libsmm rebuild after upgrade   Jörg Saßmannshausen
• [CP2K:5001] libsmm rebuild after upgrade   Iain Bethune
• An error: 'ERRORL2 in cp_parser_methods:parser_get_real' how to solve?   Enlong Liu
• [CP2K:5002] libsmm rebuild after upgrade   Jörg Saßmannshausen
• cp2k-2.5.0: linking fes   Michael Banck
• [CP2K:5006] cp2k-2.5.0: linking fes   Ole Schütt
• [CP2K:5004] libsmm rebuild after upgrade   Ole Schütt
• [CP2K:5007] cp2k-2.5.0: linking fes   Michael Banck
• [CP2K:5008] libsmm rebuild after upgrade   Jörg Saßmannshausen

Last message date: Fri Feb 28 23:48:58 UTC 2014
Archived on: Thu Mar 3 11:47:32 UTC 2022

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