November 2012 Archives by date

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Starting: Thu Nov 1 09:05:42 UTC 2012
Ending: Fri Nov 30 23:16:56 UTC 2012
Messages: 75

• GAPW, OT and TPSS: possibly bug?   efefer
• Compile error in makedepf90 (GCC, Linux i686)   efefer
• Compile error in makedepf90 (GCC, Linux i686)   DMT
• [CP2K:4144] Re: Compile error in makedepf90 (GCC, Linux i686)   Sandeep Kumar Reddy
• [CP2K:4144] Re: Compile error in makedepf90 (GCC, Linux i686)   DMT
• Compile error in qmmm_util.F (CPSourceFileRef define)   DMT
• Compile error in qmmm_util.F (CPSourceFileRef define)   Matt W
• 09:57:51 ERRORL2 in xc:xc_calc_2nd_deriv UNIMPLEMENTED, XC_DERIV method not implemented for GPW!   jjf_... at yahoo.com.cn
• Vibrational Analysis   aaron byrne
• NPROC_REP   aaron byrne
• Vibrational Analysis   Raimondas Galvelis
• NPROC_REP   Raimondas Galvelis
• periodic qmmm calculations   Ananya Mondal
• Energy congervation problem in BSSE correction calculations   satya
• Input file   satya
• [CP2K:4156] Input file   hut... at pci.uzh.ch
• CP2K run on multiple nodes   stclair
• [CP2K:4156] Input file   Bonakala Satyanarayana
• [CP2K:4158] Input file   Teodoro Laino
• [CP2K:4159] Input file   Bonakala Satyanarayana
• [CP2K:4160] Input file   Teodoro Laino
• [CP2K:4158] Input file   hut... at pci.uzh.ch
• [CP2K:4162] Input file   Bonakala Satyanarayana
• Compile error in qmmm_util.F (CPSourceFileRef define)   DMT
• Compile error in qmmm_util.F (CPSourceFileRef define)   DMT
• [CP2K:4147] Compile error in qmmm_util.F (CPSourceFileRef define)   Yd Jin
• [CP2K:4163] Input file   hut... at pci.uzh.ch
• geo_opt_cp2k   anirban mondal
• [CP2K:4168] geo_opt_cp2k   Lei Li
• [CP2K:4169] geo_opt_cp2k   Sandeep Kumar Reddy
• About the PDOS   jjf_... at yahoo.com.cn
• about MPI_THREAD_FUNNELED   jjf_... at yahoo.com.cn
• 回复： [CP2K:4173] about MPI_THREAD_FUNNELED   Jia Jianfeng
• about MPI_THREAD_FUNNELED   jjf_... at yahoo.com.cn
• geo_opt_cp2k   flo
• [CP2K:4176] Re: geo_opt_cp2k   carlo antonio pignedoli
• Vibrational Analysis   flo
• [CP2K:4176] Re: geo_opt_cp2k   anirban mondal
• Decomposition of Fourier Grids   YE-FEI LI
• SVN update not working?   nadler
• [CP2K:4181] SVN update not working?   hut... at pci.uzh.ch
• geo_opt_cp2k   flo
• [CP2K:4180] Decomposition of Fourier Grids   hut... at pci.uzh.ch
• augmented basis sets and cholesky issues   Noam Bernstein
• Geometry Optimization   SeokYun
• Re： [CP2K:4186] Geometry Optimization   shoutian sun
• [CP2K:4184] augmented basis sets and cholesky issues   hut... at pci.uzh.ch
• Using cp2k with ACML   Dr_Nick
• [CP2K:4187] augmented basis sets and cholesky issues   Noam Bernstein
• [CP2K:4189] augmented basis sets and cholesky issues   c.pignedoli
• M06   jacopos
• Question about QM/MM PBC calculation   Ruibin Liang
• periodic qmmm calculations   Ruibin
• Question about QM/MM PBC calculation   marci
• [CP2K:4192] M06   hut... at pci.uzh.ch
• Re: Re： [CP2K:4186] Geometry Optimization   SeokYun
• About the OPENMP+MPI issue of CP2k   jjf_... at yahoo.com.cn
• [CP2K:4198] About the OPENMP+MPI issue of CP2k   Urban Borštnik
• Re: Re： [CP2K:4186] Geometry Optimization   SeokYun
• cpmd and bomd   Sanjay Bharathwaj
• [CP2K:4158] CP2K run on multiple nodes   tty orz
• [CP2K:4200] cpmd and bomd   hut... at pci.uzh.ch
• SCF Convergence   SeokYun
• [CP2K:4204] SCF Convergence   Sandeep Kumar Reddy
• 回复： [CP2K:4204] SCF Convergence   shoutian sun
• Re: 回复： [CP2K:4205] SCF Convergence   SeokYun Kim
• imaginary frequency of NEB   Ross, Sun
• cp2k on fermi   jacopos
• alchemy with multiple SUBSYS bug   Noam Bernstein
• cp2k fails to compute atomic forces   Kristof
• Generating Pseudopotential   Phychembio
• Generating Pseudopotential   Phychembio
• [CP2K:4212] Generating Pseudopotential   hut... at pci.uzh.ch
• Not enough GPU device memory   mirix
• HOW-TO: Building a parallel and CUDA-enabled CP2K binary in a 64-bit Linux box with GNU compilers   mirix

Last message date: Fri Nov 30 23:16:56 UTC 2012
Archived on: Thu Mar 3 11:47:30 UTC 2022

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