July 2008 Archives by date

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Starting: Tue Jul 1 10:02:24 UTC 2008
Ending: Thu Jul 31 16:40:24 UTC 2008
Messages: 116

Calculations on isolated molecules ilya
[CP2K:1143] Calculations on isolated molecules Teodoro Laino
[CP2K:1143] Calculations on isolated molecules Teodoro Laino
tough time compiling ckinztho
[CP2K:1146] tough time compiling Teodoro Laino
tough time compiling Axel
CP2k precompiled executable for Linux x86 machines (32-bit/64-bit) Axel
dielectric constant Toon Verstraelen
[CP2K:1150] dielectric constant Teodoro Laino
cp2k parallel compilation, compiler problem (intel f90) guille
[CP2K:1152] cp2k parallel compilation, compiler problem (intel f90) Teodoro Laino
compiling with HP MPI & Open MPI C. Va'rnai
compiling with HP MPI & Open MPI Axel
cp2k parallel compilation, compiler problem (intel f90) guille
[CP2K:1155] Re: compiling with HP MPI & Open MPI Csilla Varnai
undefined references Eric Shamay
undefined references Axel
Unknown FFT library: FFTW3 Yudong Sun
[CP2K:1160] Unknown FFT library: FFTW3 Teodoro Laino
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 Rad
[CP2K:1162] Re: Unknown FFT library: FFTW3 Teodoro Laino
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 YSun
[CP2K:1165] Re: Unknown FFT library: FFTW3 Teodoro Laino
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 Axel
Unknown FFT library: FFTW3 YSun
[CP2K:1171] Re: Unknown FFT library: FFTW3 Teodoro Laino
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 Rad
Unknown FFT library: FFTW3 YSun
Unknown FFT library: FFTW3 Rad
Unknown FFT library: FFTW3 YSun
How to compile cp2k with INTEL compilers and MKL. fish
[CP2K:1178] How to compile cp2k with INTEL compilers and MKL. Teodoro Laino
How to compile cp2k with INTEL compilers and MKL. Axel
TS optimization Lekpa Duukori
[CP2K:1181] TS optimization Teodoro Laino
undefined references Eric Shamay
TS optimization yimanu
Periodicity Chris
[CP2K:1185] Periodicity Teodoro Laino
undefined references Axel
TS optimization yimanu
Is there any error in the default arch file Linux-x86-64-g95.sopt? hawk2012
[CP2K:1188] Re: TS optimization Teodoro Laino
TS optimization yimanu
Is there any error in the default arch file Linux-x86-64-g95.sopt? Axel
Is there any error in the default arch file Linux-x86-64-g95.sopt? hawk2012
Is there any error in the default arch file Linux-x86-64-g95.sopt? Axel
[CP2K:1194] Re: Is there any error in the default arch file Linux-x86-64-g95.sopt? Teodoro Laino
problems to compile and run the parallel version of cp2k with g95 compiler and mpich hawk2012
hybrid DFT for bulk sh ke
problems to compile and run the parallel version of cp2k with g95 compiler and mpich Axel
hybrid DFT for bulk Axel
problems to compile and run the parallel version of cp2k with g95 compiler and mpich hawk2012
[CP2K:1197] hybrid DFT for bulk Juerg Hutter
PM6 how to Francesco
[CP2K:1202] PM6 how to Juerg Hutter
cannot restart from restart file Csilla Varnai
cannot restart from restart file C. Va'rnai
[CP2K:1202] PM6 how to Teodoro Laino
[CP2K:1204] cannot restart from restart file Teodoro Laino
hybrid DFT for bulk molecule
hybrid DFT for bulk molecule
hybrid DFT for bulk Axel
[CP2K:1209] Re: hybrid DFT for bulk Teodoro Laino
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
openmpi loses output across multiple nodes Eric Shamay
openmpi loses output across multiple nodes Axel
openmpi loses output across multiple nodes Eric Shamay
Strange results for ionization energy aarondesk
Strange results for ionization energy Axel
openmpi loses output across multiple nodes Axel
cannot restart from restart file Axel
[CP2K:1220] Strange results for ionization energy Juerg Hutter
PM6 how to Francesco
html-man ilya
[CP2K:1226] html-man Teodoro Laino
html-man ilya
[CP2K:1228] Re: html-man Teodoro Laino
[CP2K:1228] Re: html-man Teodoro Laino
html-man ilya
html-man Teo
html-man Axel
[CP2K:1231] Re: html-man Teodoro Laino
html-man ilya
Strange results for ionization energy aarondesk
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
hybrid DFT for bulk molecule
[CP2K:1238] Re: hybrid DFT for bulk Teodoro Laino
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
[CP2K:1238] Re: hybrid DFT for bulk Juerg Hutter
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
hybrid DFT for bulk molecule
hybrid DFT for bulk molecule
Why my cp2k.popt is running much slower than cp2k.sopt? hawk2012
Installing problems sersunzo
[CP2K:1249] Installing problems Krzysztof Sakrejda-Leavitt
Installing problems Axel
Why my cp2k.popt is running much slower than cp2k.sopt? Axel
hybrid DFT for bulk Axel
[CP2K:1246] Re: hybrid DFT for bulk Juerg Hutter
Installing problems Teo
Convergence problem on CRAY-XT4 Jun
[CP2K:1256] Convergence problem on CRAY-XT4 Teodoro Laino
Convergence problem on CRAY-XT4 Matt W

Last message date: Thu Jul 31 16:40:24 UTC 2008
Archived on: Thu Mar 3 11:47:24 UTC 2022

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