| ²é¿´: 3371 | »Ø¸´: 17 | |||
shasha87Ìú³æ (СÓÐÃûÆø)
|
[ÇóÖú]
°²×°ÍêQE£¬½øÐвâÊÔʱ£¬Ê§°ÜÁË£¡ ÒÑÓÐ3È˲ÎÓë
|
||
|
¸÷λ´óÉñ£¬ÎÒÊÇQEÐÂÊÖ£¬×òÌì°´ÕÕ˵Ã÷Êé½øÐа²×°QE£¬Ã»Óз¢ÏÖʲôÎÊÌ⣬µ±ÎÒ½øÐвâÊÔʱ£¬³öÏÖÁËÎÊÌ⣺ ÊäÈë $./check-pw.x.j ³öÏÖÁËDownloading O.pz-rrkjus.UPF to home/espresso-5.1/pseudo/... failded! test atom will not be executed checking atom.../home/espresso-5.1/PW/src/[w.x:error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory FAILED with error condition! Input: atom.in, Output: atom.out, Reference: atom.ref Aborting Õ⾿¾¹ÊÇÔõô»ØÊ°¡£¬Çë¸÷λ´óÉñ°ï°ï棡 |
» ²ÂÄãϲ»¶
Ò»Ö¾Ô¸Öйúº£Ñó´óѧ£¬ÉúÎïѧ£¬301·Ö£¬Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
Ò»Ö¾Ô¸ÎäÀí²ÄÁÏ305·ÖÇóµ÷¼Á
ÒѾÓÐ6È˻ظ´
²ÄÁÏר˶ӢһÊý¶þ306
ÒѾÓÐ3È˻ظ´
085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö
ÒѾÓÐ7È˻ظ´
311Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
26µ÷¼Á/²ÄÁÏ/Ó¢Ò»Êý¶þ/×Ü·Ö289/ÒѹýAÇøÏß
ÒѾÓÐ7È˻ظ´
295Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
354Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
²ÄÁÏרҵÇóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Çó²ÄÁϵ÷¼Á
ÒѾÓÐ7È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÇóÖúquantum-espressoʹÓÃÎÊÌ⣡
ÒѾÓÐ5È˻ظ´
win8ϰ²×°Íêansys14.5ºó´ò¿ªÊ±ºò³öÏÖÈçͼ´íÎó£¬Ôõô»ØÊÂÄØ
ÒѾÓÐ10È˻ظ´
QE°²×°µ÷ÊÔ£¬ÔÚrun exampleʱ×ܳöÎÊÌ⣬³öÏÖÒÔÏÂÌáʾ£¬ÇëÎÊÊÇʲôÔÒòµ¼Öµģ¿
ÒѾÓÐ7È˻ظ´
LangmuirÎü¸½µÈÎÂÏßÎÊÌâÇóÖú
ÒѾÓÐ14È˻ظ´
shelxtl °²×°ÍêÔÚʹÓõÄʱºò³öÏÖWarning:no project ... £¬WIN7 £¨32룩
ÒѾÓÐ9È˻ظ´
Problem - nscf - c_bands: eigenvalues not converged
ÒѾÓÐ20È˻ظ´
ÊÕÁ²²âÊԺͽṹÓÅ»¯
ÒѾÓÐ10È˻ظ´
°²ÑbÍêVS2010ÅcIVF11.1.072ááÔÚcmdÏÂÖ¸Á×g³ÌÐò•r³ö¬FåeÕ`
ÒѾÓÐ4È˻ظ´
ÊÕÁ²²âÊÔ£¬ÕâÖÖÇé¿öÎҸüÌÐø²âÊÔô,¼òÖ±¾ÍÊÇÌøÔ¾Ê½µÄÂï
ÒѾÓÐ24È˻ظ´
VASP XCrysDenPWscf µ¥»ú°²×°½Ì³Ì(linux)
ÒѾÓÐ12È˻ظ´
°Ù¶ÈÎÄ¿â×ÊÁÏÏÂÔØ£¬20½ð±Ò~~
ÒѾÓÐ9È˻ظ´
Ïàµ±Ææ¹Ö£¬ÓÉÎü¸½¶¯Á¦Ñ§Ò»¼¶·½³ÌÈçºÎµÃµ½qeºÍk1µÄÖµ£¿
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿ÊÕÁ²ÐÔ²âÊÔµÄÎÊÌâ
ÒѾÓÐ40È˻ظ´
liqizuiyang
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 59 (³õÖÐÉú)
- ½ð±Ò: 6859.5
- É¢½ð: 261
- ºì»¨: 94
- Ìû×Ó: 2093
- ÔÚÏß: 708.9Сʱ
- ³æºÅ: 2366686
- ×¢²á: 2013-03-21
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
¼ÙÉèϵͳΪ64룬intel±àÒëÆ÷×°ÔÚ/opt/intelÏÂÃæ£¬FFTW¿â°²×°ÔÚ$HOME/code/fftw-3.3.3ÏÂÃæ£º 1. ½«ÏÂÁ½ÐмÓÈë~/.bashrc£º source /opt/intel/bin/iccvars.sh intel64 source /opt/intel/bin/ifortvars.sh intel64 2. source ~/.bashrc 3. export MPIF90=mpif90 export F90=ifort export F77=ifort export FC=ifort export CFLAGS=-O2 export FCFLAGS=-O2 export FFLAGS=-O2 ./configure FFT_LIBS="$HOME/code/fftw-3.3.3/lib/libfftw3.a" 4. make pw 5. make pp ÒÔÉÏÉèÖûá×Ô¶¯¶¯Ì¬Á´½ÓMKL¡£ |
10Â¥2014-09-29 09:31:15
chrinide
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 20 (СѧÉú)
- ½ð±Ò: 2460.3
- ºì»¨: 5
- Ìû×Ó: 431
- ÔÚÏß: 541.4Сʱ
- ³æºÅ: 488931
- ×¢²á: 2007-12-31
- רҵ: ÓîÖæÑ§

2Â¥2014-09-26 10:41:55
shasha87
Ìú³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3664.8
- É¢½ð: 5
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 70Сʱ
- ³æºÅ: 2124965
- ×¢²á: 2012-11-13
- ÐÔ±ð: MM
- רҵ: Í¬Î»ËØµØÇò»¯Ñ§
3Â¥2014-09-26 10:51:09
liqizuiyang
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 59 (³õÖÐÉú)
- ½ð±Ò: 6859.5
- É¢½ð: 261
- ºì»¨: 94
- Ìû×Ó: 2093
- ÔÚÏß: 708.9Сʱ
- ³æºÅ: 2366686
- ×¢²á: 2013-03-21
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2014-09-26 14:18:00
shasha87
Ìú³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3664.8
- É¢½ð: 5
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 70Сʱ
- ³æºÅ: 2124965
- ×¢²á: 2012-11-13
- ÐÔ±ð: MM
- רҵ: Í¬Î»ËØµØÇò»¯Ñ§
5Â¥2014-09-26 15:31:55
magicmonk
ÖÁ×ðľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 172 (¸ßÖÐÉú)
- ½ð±Ò: 11451.3
- ºì»¨: 24
- Ìû×Ó: 1124
- ÔÚÏß: 3108.8Сʱ
- ³æºÅ: 1191315
- ×¢²á: 2011-01-17
- רҵ: ÀíÂۺͼÆË㻯ѧ

6Â¥2014-09-26 16:35:07
liqizuiyang
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 59 (³õÖÐÉú)
- ½ð±Ò: 6859.5
- É¢½ð: 261
- ºì»¨: 94
- Ìû×Ó: 2093
- ÔÚÏß: 708.9Сʱ
- ³æºÅ: 2366686
- ×¢²á: 2013-03-21
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
7Â¥2014-09-26 17:54:03
¿¨¿ª·¢·¢
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
Ab Initio Amateur
-

ר¼Ò¾Ñé: +224 - 1STÇ¿Ìû: 2
- Ó¦Öú: 47 (СѧÉú)
- ½ð±Ò: 3509.8
- É¢½ð: 14
- ºì»¨: 223
- Ìû×Ó: 2477
- ÔÚÏß: 1254Сʱ
- ³æºÅ: 1369423
- ×¢²á: 2011-08-16
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÄ¥ËðÓëĥʴ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí

8Â¥2014-09-26 23:23:53
shasha87
Ìú³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3664.8
- É¢½ð: 5
- ºì»¨: 1
- Ìû×Ó: 275
- ÔÚÏß: 70Сʱ
- ³æºÅ: 2124965
- ×¢²á: 2012-11-13
- ÐÔ±ð: MM
- רҵ: Í¬Î»ËØµØÇò»¯Ñ§
9Â¥2014-09-28 11:56:17













»Ø¸´´ËÂ¥