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¡¾ÇóÖú¡¿Performing VASP: mpich2 someties breaks down ÒÑÓÐ5È˲ÎÓë
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Ç°ÃæÎÒ·¢¸öͬÑùµÄÌù£¬¿ÉÊÇÎÊÌâûÓеõ½½â¾ö¡£±È½Ï¼±£¬Ï£Íû´ó¼ÒÄܹ»°ïÖúÏ£¬Ð»Ð»! ÎÒÔÚRHEL 5.4; mpich2-1.2.1p1;pgi-9.0.1;Ë«ºËXeon E5504 (intel CPU)»·¾³ÏÂÅܲ¢ÐеÄvasp¡£ÓÐЩ×÷Òµ£¬Äܹ»Õý³£²¢ÐмÆË㣨ʹÓÃÃüÁmpiexec -n 8 vasp.pgi >out& or mpiexec -n 8 vasp.pgi out& or mpiexec -n 8 vasp.pgi £¬ÓÐЩ×÷ҵȴ²»ÄÜÔËÐУ¨ÎÒ°²×°mpich2-1.2.p1), pgi.9.0.1ûÓÐÎÊÌ⣩£¬Õâʱ³ÌÐò¶ÁÁËINCAR£¬POTCAR£¬POSCARºÍKPOINTSÎļþºó£¬ÆÁÄ»ÌáʾÈçϵĴíÎó£º ---------------------------------------------------------------------- running on 8 nodes distr: one band on 1 nodes, 8 groups vasp.4.6.21 23Feb03 complex POSCAR found : 3 types and 30 ions LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR, INCAR and KPOINTS ok, starting setup WARNING: wrap around errors must be expected mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & FFT: planning ... 2 reading WAVECAR mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & WARNING: random wavefunctions but no delay for mixing, default for NELMDL entering main loop N E dE d eps ncg rms rms(c) rank 6 in job 36 qltang1_54199 caused collective abort of all ranks exit status of rank 6: killed by signal 9 rank 3 in job 36 qltang1_54199 caused collective abort of all ranks exit status of rank 3: killed by signal 9 Ï£ÍûÄܵõ½°ïÖú£¬Ð»Ð»£¡ |
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gump_813276
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- ½ð±Ò: 164.5
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- ÔÚÏß: 12.8Сʱ
- ³æºÅ: 549455
- ×¢²á: 2008-04-21
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zzy870720z(½ð±Ò+1):ллָµã 2010-06-17 12:26:05
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zzy870720z(½ð±Ò+1):ллָµã 2010-06-17 12:26:05
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ÎÒÉϴλصÄÄãÊÔÁËÂ𣿠ÉÏÃæËµµÄÊÇ stdin problem ËùÒÔÎÒ¾õµÃ ÄãµÄµÚÒ»¸öÃüÁîÊǶԵÄmpiexec -n 8 vasp.pgi >out& ÄãÊÔÊÔ »¹ÓÐÎÊÌâµÄ»°ÔÙ˵ |
2Â¥2010-06-17 12:19:32
wnryc
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 25.5
- Ìû×Ó: 42
- ÔÚÏß: 18.7Сʱ
- ³æºÅ: 1038347
- ×¢²á: 2010-06-08
- ÐÔ±ð: GG
- רҵ: ÎïÀí»¯Ñ§

3Â¥2010-06-17 15:23:13
valenhou001
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 13
- Ó¦Öú: 241 (´óѧÉú)
- ½ð±Ò: 25701.7
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- ×¢²á: 2010-04-27
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
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zzy870720z(½ð±Ò+1):ллָµ¼ 2010-06-17 18:33:36
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zzy870720z(½ð±Ò+1):ллָµ¼ 2010-06-17 18:33:36
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#/bin/sh mpdtrace -l # Check the connectivity. mpdringtest 100 mpiexec -n 2 vaspµÄ·¾¶ > out 2>& 1 mpdallexit ÊÔÊÔÉÏÃæµÄ¡£ |
4Â¥2010-06-17 15:33:53
wnryc
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 25.5
- Ìû×Ó: 42
- ÔÚÏß: 18.7Сʱ
- ³æºÅ: 1038347
- ×¢²á: 2010-06-08
- ÐÔ±ð: GG
- רҵ: ÎïÀí»¯Ñ§
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°´ÕÕ½¨Ò飬ÎÒÕâÑù²Ù×÷£¬¹ý³ÌÈçÏ£º [qltang@qltang1 pgi]$ /bin/sh sh-3.2$ mpdtrace -l qltang1_54199 (127.0.0.1) sh-3.2$ mpdringtest 100 time for 100 loops = 0.0500471591949 seconds sh-3.2$ mpiexec -n 2 /usr/local/bin/ >out 2>&1 sh-3.2$ mpiexec -n 2 /usr/local/bin/vasp.pgi >out 2>&1 sh-3.2$ ½á¹ûÊÇͬÑùµÄ£¬VASPÖ»¶ÁÁËÊäÈëÎļþ¾ÍÍ˳öÀ´ÁË£¬¼´£º running on 2 nodes distr: one band on 1 nodes, 2 groups vasp.4.6.21 23Feb03 complex POSCAR found : 3 types and 48 ions LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR, INCAR and KPOINTS ok, starting setup WARNING: wrap around errors must be expected FFT: planning ... 10 reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) rank 1 in job 63 qltang1_54199 caused collective abort of all ranks exit status of rank 1: killed by signal 11 ÎÒÓÖÎÊÁËÏÂmpich2 support, Ëû˵¿ÉÄܲ»ÊÇmpich2ÔÒò£¬ÊÇcore duµÄÔÒò£¬¼´Ëû˵£º¡°"ulimit -c unlimited" is the usual means to enable core dumps. If that's not working for you, then either your VASP program isn't dumping core or core dumps must be enabled some other way. You'll have to google for the appropriate way to enable them on your platform.¡± ÕâÑù£¬ÎÒÓÖ±àÒëÁ˸ö´®ÐÐVASP£¬ÏÈÖ´ÐÐÃüÁ ulimit -c unlimited ulimit -s unlimited È»ºóÅÜ´®ÐеÄvasp.pgi.serial,·¢ÏÖVASPÖ»¶ÁÁËÊäÈëÎļþ¾ÍÍ˳öÀ´ÁË£¬¶øÇÒ¸ø³öÕâÑùµÄÌáʾ: [qltang@qltang1 pgi2]$ vasp.pgi.serial vasp.4.6.21 23Feb03 complex POSCAR found : 3 types and 48 ions LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR, INCAR and KPOINTS ok, starting setup WARNING: wrap around errors must be expected FFT: planning ... 16 reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) *** glibc detected *** vasp.pgi.serial: free(): invalid next size (fast): 0x0000000005310760 *** ======= Backtrace: ========= /lib64/libc.so.6[0x3fd74722ef] /lib64/libc.so.6(cfree+0x4b)[0x3fd747273b] vasp.pgi.serial[0x4f6176] ======= Memory map: ======== 00400000-006bc000 r-xp 00000000 08:03 1770734 /usr/local/bin/vasp.pgi.serial 008bb000-008e8000 rwxp 002bb000 08:03 1770734 /usr/local/bin/vasp.pgi.serial 008e8000-00c32000 rwxp 008e8000 00:00 0 05243000-05a4a000 rwxp 05243000 00:00 0 [heap] 3fd6c00000-3fd6c1c000 r-xp 00000000 08:03 3204371 /lib64/ld-2.5.so 3fd6e1b000-3fd6e1c000 r-xp 0001b000 08:03 3204371 /lib64/ld-2.5.so 3fd6e1c000-3fd6e1d000 rwxp 0001c000 08:03 3204371 /lib64/ld-2.5.so 3fd7400000-3fd754d000 r-xp 00000000 08:03 3204372 /lib64/libc-2.5.so 3fd754d000-3fd774d000 ---p 0014d000 08:03 3204372 /lib64/libc-2.5.so 3fd774d000-3fd7751000 r-xp 0014d000 08:03 3204372 /lib64/libc-2.5.so 3fd7751000-3fd7752000 rwxp 00151000 08:03 3204372 /lib64/libc-2.5.so 3fd7752000-3fd7757000 rwxp 3fd7752000 00:00 0 3fd7c00000-3fd7c82000 r-xp 00000000 08:03 3204376 /lib64/libm-2.5.so 3fd7c82000-3fd7e81000 ---p 00082000 08:03 3204376 /lib64/libm-2.5.so 3fd7e81000-3fd7e82000 r-xp 00081000 08:03 3204376 /lib64/libm-2.5.so 3fd7e82000-3fd7e83000 rwxp 00082000 08:03 3204376 /lib64/libm-2.5.so 3fd8000000-3fd8016000 r-xp 00000000 08:03 3204374 /lib64/libpthread-2.5.so 3fd8016000-3fd8215000 ---p 00016000 08:03 3204374 /lib64/libpthread-2.5.so 3fd8215000-3fd8216000 r-xp 00015000 08:03 3204374 /lib64/libpthread-2.5.so 3fd8216000-3fd8217000 rwxp 00016000 08:03 3204374 /lib64/libpthread-2.5.so 3fd8217000-3fd821b000 rwxp 3fd8217000 00:00 0 3fd8800000-3fd8807000 r-xp 00000000 08:03 3204377 /lib64/librt-2.5.so 3fd8807000-3fd8a07000 ---p 00007000 08:03 3204377 /lib64/librt-2.5.so 3fd8a07000-3fd8a08000 r-xp 00007000 08:03 3204377 /lib64/librt-2.5.so 3fd8a08000-3fd8a09000 rwxp 00008000 08:03 3204377 /lib64/librt-2.5.so 3fdd000000-3fdd00d000 r-xp 00000000 08:03 3202051 /lib64/libgcc_s-4.1.2-20080825.so.1 3fdd00d000-3fdd20d000 ---p 0000d000 08:03 3202051 /lib64/libgcc_s-4.1.2-20080825.so.1 3fdd20d000-3fdd20e000 rwxp 0000d000 08:03 3202051 /lib64/libgcc_s-4.1.2-20080825.so.1 2abf81586000-2abf8158c000 rwxp 2abf81586000 00:00 0 2abf815ad000-2abf94b2b000 rwxp 2abf815ad000 00:00 0 7fff8fa7d000-7fff8fa92000 rwxp 7ffffffea000 00:00 0 [stack] ffffffffff600000-ffffffffffe00000 ---p 00000000 00:00 0 [vdso] Aborted (core dumped) [qltang@qltang1 pgi2]$ ²»ÖªµÀÔÒò³öÔÚÄÄÀÎÊÌâÊÇÓÐЩ×÷Òµ¿ÉÒÔÅÜ´®Ðеģ¬Äܵõ½½á¹û£¬ÓÐЩ´®ÐÐ×÷ÒµvaspÖ»¶ÁÊäÈëÎļþ¾ÍÍ£Ö¹ÁË£¨³öÏÖÉÏÃæµÄ±¨´íÐÅÏ¢£©¡£Ï£ÍûÕâÎÊÌâÄÜÔçµã½â¾ö£¬Ð»Ð»£¡ |

5Â¥2010-06-17 17:16:38
valenhou001
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 13
- Ó¦Öú: 241 (´óѧÉú)
- ½ð±Ò: 25701.7
- É¢½ð: 602
- ºì»¨: 166
- Ìû×Ó: 3782
- ÔÚÏß: 873.8Сʱ
- ³æºÅ: 1007127
- ×¢²á: 2010-04-27
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
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zzy870720z(½ð±Ò+2):ллָµ¼ 2010-06-17 20:21:37
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zzy870720z(½ð±Ò+2):ллָµ¼ 2010-06-17 20:21:37
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²»ÐèÒªÓÃulimitµÄÃüÁîµÄ¡£ ÓÐ2ÖÖ¿ÉÄÜ£º i)ÄãµÄmakefileÖбàÒëÑ¡ÏîÉèÖõIJ»ºÏÊÊ£» ii)ÄãµÄmpich2°²×°ÓÐÎÊÌâ¡£ ½¨ÒéÏȸ㶨vaspµÄ´®ÐбàÒ룬ʹµÃËüÄÜÕý³£Óá£È»ºóÔÙ¼òµ¥¸ÄΪ²¢ÐеıàÒë¡£ ²âÊÔmpich2µÄ°²×°ÊÇ·ñÕý³£,±ÈÈçÔËÐÐmpich2×Ô´øµÄ²âÊÔ³ÌÐò»òÃüÁî¡£ |
6Â¥2010-06-17 18:55:03
gump_813276
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 164.5
- Ìû×Ó: 56
- ÔÚÏß: 12.8Сʱ
- ³æºÅ: 549455
- ×¢²á: 2008-04-21
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hedaors(½ð±Ò+2):лл·ÖÏí 2010-06-17 22:42:32
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hedaors(½ð±Ò+2):лл·ÖÏí 2010-06-17 22:42:32
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7Â¥2010-06-17 22:35:59
valenhou001
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zzy870720z(½ð±Ò+1):ллָµã 2010-06-19 08:03:07
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zzy870720z(½ð±Ò+1):ллָµã 2010-06-19 08:03:07
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8Â¥2010-06-18 10:32:35
wnryc
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9Â¥2010-06-18 18:55:30
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10Â¥2010-06-18 18:56:28














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