±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1946  |  »Ø¸´: 22
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wxlcn

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] vasp±àÒëºóÊ×´ÎÔËÐвâÊÔ½ô¼±ÇóÖú£¡Ç°Ê®»Ø¸´Ëͺ컨¡£ ÒÑÓÐ5È˲ÎÓë

±³¾°ÃèÊö£º
vasp.5.lib±àÒëʱÓÐÏÂÃæÀàËÆµÄÌáʾ£º
lapack_double.f(20733): remark #5140: Unrecognized directive
CDIR$          NEXTSCALAR
-------------------------^
lapack_atlas.f(12864): remark #5140: Unrecognized directive
CDIR$          NEXTSCALAR
-------------------------^

vasp.5.2±àÒëûÓÐerrorÌáʾ£¬½öÕÒµ½2¸öwarningºÍ1¸ö´øUnµÄ¾ä×Ó
mpif90 -FR -names lowercase -assume byterecl -O3   -c nonl.f90
nonl.f90(827): warning #7866: The statement following this DEC loop optimization directive must be an iterative do-stmt, a vector assignment, an OMP do-directive or a parallel-do-directive, or an OMP simd-directive or a do-simd-directive.
!DIR$ IVDEP
------^
mpif90 -FR -names lowercase -assume byterecl -O3   -c hamil.f90
hamil.f90(1676): warning #7866: The statement following this DEC loop optimization directive must be an iterative do-stmt, a vector assignment, an OMP do-directive or a parallel-do-directive, or an OMP simd-directive or a do-simd-directive.
!DIR$ IVDEP
------^
mpif90 -FR -names lowercase -assume byterecl -O3   -c pawsym.f90
pawsym.f90(476): remark #5140: Unrecognized directive
!DIR$ NOPATTERN
---------------^

Ê×´ÎÔËÐвâÊÔ²ÉÓÃÁËhttp://cms.mpi.univie.ac.at/vasp-workshop/Àý×Ó1_1_O_atom£¬INCAR,KPOINTS,POSCAR,POTCARÎļþÈçÓÐÐèÒªÇë¼û¸½¼þ¡£
ÔËÐк󲻶ԣ¬½á¹ûÈçÏ£º
wxlcn0@wxlcn0-Lenovo-G470:~$ cd VASP/
wxlcn0@wxlcn0-Lenovo-G470:~/VASP$ cd 1_1_O_atom/
wxlcn0@wxlcn0-Lenovo-G470:~/VASP/1_1_O_atom$ /home/wxlcn0/VASP/vasp.5.2/vasp
running on    1 nodes
distr:  one band on    1 nodes,    1 groups
vasp.5.2.12 26May11 complex
POSCAR found :  1 types and       1 ions
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
FFT: planning ...(           1 )
WAVECAR not read
entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
Segmentation fault (core dumped)
wxlcn0@wxlcn0-Lenovo-G470:~/VASP/1_1_O_atom$
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : 1_1_O_atom.tar.gz
  • 2015-05-19 22:02:06, 49.93 K

» ²ÂÄãϲ»¶

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jylaugh

ľ³æ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
2Â¥: Originally posted by qlihytc at 2015-05-19 22:25:31
ÔÚFFLAGSÀï¼ÓÉϲÎÊý-heap-arrays  64ÊÔÊÔ¿´

thanks
idea
23Â¥2017-01-05 16:46:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 23 ¸ö»Ø´ð

qlihytc

гæ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+1, лл½»Á÷ 2015-05-20 07:48:42
ÔÚFFLAGSÀï¼ÓÉϲÎÊý-heap-arrays  64ÊÔÊÔ¿´

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2015-05-19 22:25:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wxlcn

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by qlihytc at 2015-05-19 22:25:31
ÔÚFFLAGSÀï¼ÓÉϲÎÊý-heap-arrays  64ÊÔÊÔ¿´

ÄãÖ¸µÄÊÇÔÚmakefileÀïÃæµÄFFLAGS£¿ÄÇÎÒÊÇÒªÖØÐ±àÒ룿µ«ÎҸоõ±àÒëÓ¦¸ÃûɶÎÊÌâÁË
3Â¥2015-05-19 22:32:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wxlcn

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by wxlcn at 2015-05-19 22:32:50
ÄãÖ¸µÄÊÇÔÚmakefileÀïÃæµÄFFLAGS£¿ÄÇÎÒÊÇÒªÖØÐ±àÒ룿µ«ÎҸоõ±àÒëÓ¦¸ÃûɶÎÊÌâÁË...

ÎÒ²éÁ˱àÒëvasp.5.lib ʱµÄÌáʾ¡°remark #5140: Unrecognized directive¡°£¬ÍøÉÏ˵¿ÉÒÔºöÂÔ¡£ÄúÓкõĽ¨Òé»òÕßÐ޸ķ½°¸Âð£¿
4Â¥2015-05-19 22:34:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085701»·¾³¹¤³ÌÇóµ÷¼Á +8 ¶à¾ÃÉϿΠ2026-03-27 8/400 2026-03-27 22:21 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÕÅ·¼Ãú-Öйúũҵ´óѧ-»·¾³¹¤³Ìר˶-298 +3 ÊÖ»úÓû§ 2026-03-26 3/150 2026-03-27 21:39 by lbsjt
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£Àí¹¤ÄÜÔ´¶¯Á¦£¨085800£©310·ÖÇóµ÷¼Á +3 zhangmingc 2026-03-27 4/200 2026-03-27 19:01 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] 291Çóµ÷¼Á +12 hhhhxn.. 2026-03-23 18/900 2026-03-27 17:41 by ditto77778
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯085600²ÄÁÏר˶275|ÓÐÎÄÕÂרÀû£üÇóµ÷¼Á +3 Micky11223 2026-03-25 3/150 2026-03-27 14:52 by ×íÔÚ·çÀï
[¿¼ÑÐ] һ־Ը̫ԭÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á +4 0857Çóµ÷¼Á. 2026-03-24 4/200 2026-03-27 14:03 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 0703»¯Ñ§Ò»Ö¾Ô¸ÄϾ©Ê¦·¶´óѧ303Çóµ÷¼Á +3 zzffylgg 2026-03-24 3/150 2026-03-27 10:42 by shangxh
[¿¼ÑÐ] Çóµ÷¼Á323²ÄÁÏÓ뻯¹¤ +7 1124361 2026-03-24 7/350 2026-03-27 10:22 by wangjy2002
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-03-26 4/200 2026-03-27 08:04 by chemisry
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-27 07:58 by chemisry
[¿¼ÑÐ] 336²ÄÁÏÇóµ÷¼Á +7 ³ÂäÞÓ¨ 2026-03-26 9/450 2026-03-27 00:20 by wxiongid
[¿¼ÑÐ] 341Çóµ÷¼Á +7 ÇàÄûÃÊ1 2026-03-26 7/350 2026-03-27 00:19 by wxiongid
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸ ±¾¿Æ ±±¿Æ´ó »¯Ñ§ 343 +6 13831862839 2026-03-24 7/350 2026-03-26 22:57 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 324Çóµ÷¼Á +4 wysyjs25 2026-03-21 4/200 2026-03-26 20:38 by fmesaito
[¿¼ÑÐ] ×Ü·Ö293Çóµ÷¼Á +6 ¼ÓÒ»Ò»¾Å 2026-03-25 8/400 2026-03-26 13:30 by yujianx
[¿¼ÑÐ] µ÷¼Á310 +3 ÎÂÈáµÄÍí°² 2026-03-25 4/200 2026-03-25 23:16 by peike
[¿¼ÑÐ] ¿¼Ñе÷¼Á +6 À´ºÃÔËÀ´À´À´ 2026-03-21 7/350 2026-03-25 22:43 by 418490947
[¿¼ÑÐ] 296Çóµ÷¼Á +4 Íô£¡£¿£¡ 2026-03-25 7/350 2026-03-25 16:41 by Íô£¡£¿£¡
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û