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xyzzz986
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 60 (³õÖÐÉú)
- ½ð±Ò: 3009.8
- É¢½ð: 72
- ºì»¨: 1
- Ìû×Ó: 2237
- ÔÚÏß: 335.2Сʱ
- ³æºÅ: 487082
- ×¢²á: 2007-12-28
- ÐÔ±ð: GG
- רҵ: ͳ¼ÆÑ§ÆäËûѧ¿Æ
9Â¥2012-08-10 14:39:19
xyzzz986
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 60 (³õÖÐÉú)
- ½ð±Ò: 3009.8
- É¢½ð: 72
- ºì»¨: 1
- Ìû×Ó: 2237
- ÔÚÏß: 335.2Сʱ
- ³æºÅ: 487082
- ×¢²á: 2007-12-28
- ÐÔ±ð: GG
- רҵ: ͳ¼ÆÑ§ÆäËûѧ¿Æ
2Â¥2012-08-09 17:29:31
argo
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
ÉÏÉÆÈôË®
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9672.8
- É¢½ð: 200
- ºì»¨: 34
- Ìû×Ó: 1940
- ÔÚÏß: 486.4Сʱ
- ³æºÅ: 507533
- ×¢²á: 2008-02-19
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
OUTCAR×îºó²¿·ÖÈçÏ£º maximum and minimum number of plane-waves per node : 23130 23006 maximum number of plane-waves: 23130 maximal index in each direction: IXMAX= 18 IYMAX= 18 IZMAX= 19 IXMIN=-18 IYMIN=-18 IZMIN=-19 WARNING: aliasing errors must be expected set NGX to 74 to avoid them WARNING: aliasing errors must be expected set NGY to 74 to avoid them WARNING: aliasing errors must be expected set NGZ to 78 to avoid them aliasing errors are usually negligible using standard VASP settings and one can safely disregard these warnings serial 3D FFT for wavefunctions parallel 3D FFT for charge: minimum data exchange during FFTs selected (reduces bandwidth) total amount of memory used by VASP on root node 507413. kBytes ======================================================================== base : 30000. kBytes nonlr-proj: 24574. kBytes fftplans : 13433. kBytes grid : 59719. kBytes one-center: 2239. kBytes wavefun : 377448. kBytes Broyden mixing: mesh for mixing (old mesh) NGX = 37 NGY = 37 NGZ = 39 (NGX =108 NGY =108 NGZ =120) gives a total of 53391 points OSZICARΪ¿Õ |

3Â¥2012-08-09 19:19:55
argo
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
ÉÏÉÆÈôË®
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9672.8
- É¢½ð: 200
- ºì»¨: 34
- Ìû×Ó: 1940
- ÔÚÏß: 486.4Сʱ
- ³æºÅ: 507533
- ×¢²á: 2008-02-19
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
INCARÖмÓÁË NGX=74 NGY=74 NGZ=78 Ö®ºó£¬OUTCARÊä³ö²¿·Ö£º maximum and minimum number of plane-waves per node : 23130 23006 maximum number of plane-waves: 23130 maximal index in each direction: IXMAX= 18 IYMAX= 18 IZMAX= 19 IXMIN=-18 IYMIN=-18 IZMIN=-19 NGX is ok and might be reduce to 74 NGY is ok and might be reduce to 74 NGZ is ok and might be reduce to 78 serial 3D FFT for wavefunctions parallel 3D FFT for charge: minimum data exchange during FFTs selected (reduces bandwidth) total amount of memory used by VASP on root node 454216. kBytes ======================================================================== base : 30000. kBytes nonlr-proj: 73093. kBytes fftplans : 38400. kBytes grid : 122880. kBytes one-center: 1119. kBytes wavefun : 188724. kBytes Broyden mixing: mesh for mixing (old mesh) NGX = 37 NGY = 37 NGZ = 39 (NGX =160 NGY =160 NGZ =160) gives a total of 53391 points OSZICARÈÔΪ¿Õ logΪ LDA part: xc-table for Ceperly-Alder, standard interpolation POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 1 ) reading WAVECAR rank 4 in job 1 compute-0-10_38037 caused collective abort of all ranks exit status of rank 4: killed by signal 9 |

4Â¥2012-08-09 19:50:02









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