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金虫 (小有名气)

应助: 0 (幼儿园)
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在线: 136.3小时
虫号: 477317
注册: 2007-12-13
专业: 凝聚态物性 II ：电子结构

[求助] 几何结构优化时出现以下问题，怎么回事？求助，谢谢！已有1人参与

running on 7 nodes
distr:  one band on 1 nodes, 7 groups
vasp.5.2.12 26May11 complex
POSCAR found type information on POSCAR  Zn O  C  H
POSCAR found :  4 types and    66 ions

-----------------------------------------------------------------------------
|                                                                            |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                            |
|    You have a (more or less) 'large supercell' and for larger cells    |
|    it might be more efficient to use real space projection opertators    |
|    So try LREAL= Auto  in the INCAR file.                            |
|    Mind: At the moment your POTCAR file does not contain real space    |
|    projectors, and has to be modified,  BUT if you                      |
|    want to do an extremely  accurate calculation you might also keep the  |
|    reciprocal projection scheme       (i.e. LREAL=.FALSE.)          |
|                                                                            |
-----------------------------------------------------------------------------

LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
FFT: planning ...(          3 )
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
WAVECAR not read
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
-- 插入 --

几何结构优化过程中出现上面的提示，现有2个问题：
1）， You have a (more or less) 'large supercell' and for larger cells    |
|    it might be more efficient to use real space projection opertators    |
|    So try LREAL= Auto  in the INCAR file.                            |
|    Mind: At the moment your POTCAR file does not contain real space    |
|    projectors, and has to be modified,  BUT if you                      |
|    want to do an extremely  accurate calculation you might also keep the  |
|    reciprocal projection scheme       (i.e. LREAL=.FALSE.)          |
这里如果使用real space projection operators，POTCAR中怎么修改？
2）上面的mpiexec_localhost.localdomain (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null
mpiexec_localhost.localdomain (handle_stdin_input 1090):    e.g.: mpiexec -n 4 a.out < /dev/null &
这些提示是怎么回事？应如何解决啊？
本人刚接触vasp,望各位兄弟姐妹指点一下，非常感谢！

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