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ljzhou86

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注册: 2010-04-14
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专业: 凝聚态物性 II ：电子结构

[交流] 如设置了LELF=T, 内存报错已有4人参与

vasp 5.3或是5.2编译后进行计算，发现一个很奇怪的现象：如INCAR里面没有设置LELF=T，刚计算正常，没有错误；但如设置了LELF=T, 刚在计算最后显示内存的问题？这是怎么一回事？相应的编译工具如下: parallel_studio_xe_2011_sp1_update2_intel64(1).tgz, Openmpi-1.6, fftw-3.2.1.tar.gz。错误提示如下：

entering main loop
   N    E                   dE          d eps    ncg    rms       rms(c)
DAV: 1 -0.204296542996E+02 -0.20430E+02 -0.50735E-04 832 0.503E-01
DAV: 2 -0.204296623496E+02 -0.80501E-05 -0.80494E-05 896 0.394E-02
DAV: 3 -0.204296623945E+02 -0.44867E-07 -0.44925E-07 688 0.334E-03
DAV: 4 -0.204296624047E+02 -0.10181E-07 -0.10085E-07 512 0.166E-03
DAV: 5 -0.204296624079E+02 -0.32069E-08 -0.32719E-08 448 0.933E-04
1 F= -.20429662E+02 E0= -.20429662E+02  d E =0.000000E+00
*** glibc detected *** vasp5.3-mpich2: malloc(): memory corruption: 0x00000000200cc420 ***
======= Backtrace: =========
/lib64/libc.so.6[0x3b01672fae]
/lib64/libc.so.6(__libc_malloc+0x6e)[0x3b01674cde]
vasp5.3-mpich2[0xf598fd]
vasp5.3-mpich2[0xf5b6b1]
vasp5.3-mpich2[0xf515bc]
vasp5.3-mpich2[0xf52365]
vasp5.3-mpich2[0xf52733]
vasp5.3-mpich2[0xf50855]
vasp5.3-mpich2[0x459100]
vasp5.3-mpich2[0x4aa19f]
vasp5.3-mpich2[0x9a0d7a]
vasp5.3-mpich2[0x44a246]
vasp5.3-mpich2[0x4072ec]
/lib64/libc.so.6(__libc_start_main+0xf4)[0x3b0161d994]
vasp5.3-mpich2[0x4071f9]
======= Memory map: ========
00400000-011ec000 r-xp 00000000 08:07 163317329                         /home/ljzhou86/bin/vasp/vasp5.3-mpich2
013ec000-0144e000 rwxp 00dec000 08:07 163317329                         /home/ljzhou86/bin/vasp/vasp5.3-mpich2
0144e000-06f86000 rwxp 0144e000 00:00 0
1f21f000-2070c000 rwxp 1f21f000 00:00 0                               [heap]
3b01200000-3b0121c000 r-xp 00000000 08:03 1912860                      /lib64/ld-2.5.so
3b0141b000-3b0141c000 r-xp 0001b000 08:03 1912860                      /lib64/ld-2.5.so
3b0141c000-3b0141d000 rwxp 0001c000 08:03 1912860                      /lib64/ld-2.5.so
3b01600000-3b0174e000 r-xp 00000000 08:03 1912861                      /lib64/libc-2.5.so
3b0174e000-3b0194d000 ---p 0014e000 08:03 1912861                      /lib64/libc-2.5.so
3b0194d000-3b01951000 r-xp 0014d000 08:03 1912861                      /lib64/libc-2.5.so
3b01951000-3b01952000 rwxp 00151000 08:03 1912861                      /lib64/libc-2.5.so
3b01952000-3b01957000 rwxp 3b01952000 00:00 0
3b01a00000-3b01a82000 r-xp 00000000 08:03 1912868                      /lib64/libm-2.5.so
3b01a82000-3b01c81000 ---p 00082000 08:03 1912868                      /lib64/libm-2.5.so
3b01c81000-3b01c82000 r-xp 00081000 08:03 1912868                      /lib64/libm-2.5.so
3b01c82000-3b01c83000 rwxp 00082000 08:03 1912868                      /lib64/libm-2.5.so
3b01e00000-3b01e02000 r-xp 00000000 08:03 1912863                      /lib64/libdl-2.5.so
3b01e02000-3b02002000 ---p 00002000 08:03 1912863                      /lib64/libdl-2.5.so
3b02002000-3b02003000 r-xp 00002000 08:03 1912863                      /lib64/libdl-2.5.so
3b02003000-3b02004000 rwxp 00003000 08:03 1912863                      /lib64/libdl-2.5.so
3b02200000-3b02216000 r-xp 00000000 08:03 1912864                      /lib64/libpthread-2.5.so
3b02216000-3b02415000 ---p 00016000 08:03 1912864                      /lib64/libpthread-2.5.so
3b02415000-3b02416000 r-xp 00015000 08:03 1912864                      /lib64/libpthread-2.5.so
3b02416000-3b02417000 rwxp 00016000 08:03 1912864                      /lib64/libpthread-2.5.so
3b02417000-3b0241b000 rwxp 3b02417000 00:00 0
3b02a00000-3b02a07000 r-xp 00000000 08:03 1912865                      /lib64/librt-2.5.so
3b02a07000-3b02c07000 ---p 00007000 08:03 1912865                      /lib64/librt-2.5.so
3b02c07000-3b02c08000 r-xp 00007000 08:03 1912865                      /lib64/librt-2.5.so
3b02c08000-3b02c09000 rwxp 00008000 08:03 1912865                      /lib64/librt-2.5.so
3b0fc00000-3b0fc0d000 r-xp 00000000 08:03 1912757                      /lib64/libgcc_s-4.1.2-20080825.so.1
3b0fc0d000-3b0fe0d000 ---p 0000d000 08:03 1912757                      /lib64/libgcc_s-4.1.2-20080825.so.1
3b0fe0d000-3b0fe0e000 rwxp 0000d000 08:03 1912757                      /lib64/libgcc_s-4.1.2-20080825.so.1
2b92209f7000-2b92209f8000 rwxp 2b92209f7000 00:00 0
2b9220a14000-2b9220a15000 rwxp 2b9220a14000 00:00 0
2b9220a15000-2b9220c9c000 r-xp 00000000 08:07 150962235                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libimf.so
2b9220c9c000-2b9220d9c000 ---p 00287000 08:07 150962235                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libimf.so
2b9220d9c000-2b9220de0000 rwxp 00287000 08:07 150962235                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libimf.so
2b9220de0000-2b922137e000 r-xp 00000000 08:07 151519855                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so
2b922137e000-2b922157e000 ---p 0059e000 08:07 151519855                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so
2b922157e000-2b922158d000 rwxp 0059e000 08:07 151519855                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so
2b922158d000-2b9221593000 rwxp 2b922158d000 00:00 0
2b9221593000-2b9222296000 r-xp 00000000 08:07 151519857                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_thread.so
2b9222296000-2b9222496000 ---p 00d03000 08:07 151519857                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_thread.so
2b9222496000-2b92225ed000 rwxp 00d03000 08:07 151519857                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_thread.so
2b92225ed000-2b92225f0000 rwxp 2b92225ed000 00:00 0
2b92225f0000-2b9223408000 r-xp 00000000 08:07 151519639                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_core.so
2b9223408000-2b9223607000 ---p 00e18000 08:07 151519639                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_core.so
2b9223607000-2b922361b000 rwxp 00e17000 08:07 151519639                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_core.so
2b922361b000-2b922362b000 rwxp 2b922361b000 00:00 0
2b922362b000-2b92236b1000 r-xp 00000000 08:07 231899138                /home/ljzhou86/software/g03/g03/private/libiomp5.so
2b92236b1000-2b92237b1000 ---p 00086000 08:07 231899138                /home/ljzhou86/software/g03/g03/private/libiomp5.so
2b92237b1000-2b92237b7000 rwxp 00086000 08:07 231899138                /home/ljzhou86/software/g03/g03/private/libiomp5.so
2b92237b7000-2b92237bf000 rwxp 2b92237b7000 00:00 0
2b92237bf000-2b9223c92000 r-xp 00000000 08:07 151519865                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_sequential.so
2b9223c92000-2b9223e91000 ---p 004d3000 08:07 151519865                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_sequential.so
2b9223e91000-2b9223e9d000 rwxp 004d2000 08:07 151519865                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_sequential.so
2b9223e9d000-2b9223e9f000 rwxp 2b9223e9d000 00:00 0
2b9223e9f000-2b9223ee8000 r-xp 00000000 08:07 150962237                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libintlc.so.5
2b9223ee8000-2b9223fe7000 ---p 00049000 08:07 150962237                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libintlc.so.5
2b9223fe7000-2b9223fea000 rwxp 00048000 08:07 150962237                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64/libintlc.so.5
2b9223fea000-2b9223fee000 rwxp 2b9223fea000 00:00 0
2b9223fee000-2b9228ef4000 rwxs 00000000 00:13 701930                   /dev/shm/mpich_shar_tmpmwyxs7 (deleted)
2b9228f10000-2b9228f1a000 r-xp 00000000 08:03 1912571                   /lib64/libnss_files-2.5.so
2b9228f1a000-2b9229119000 ---p 0000a000 08:03 1912571                   /lib64/libnss_files-2.5.so
2b9229119000-2b922911a000 r-xp 00009000 08:03 1912571                   /lib64/libnss_files-2.5.so
2b922911a000-2b922911b000 rwxp 0000a000 08:03 1912571                   /lib64/libnss_files-2.5.so
2b9229141000-2b922acd5000 r-xp 00000000 08:07 151519859                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_mc3.so
2b922acd5000-2b922aed5000 ---p 01b94000 08:07 151519859                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_mc3.so
2b922aed5000-2b922af2a000 rwxp 01b94000 08:07 151519859                /home/ljzhou86/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_mc3.so
2b922af2a000-2b922bb9b000 rwxp 2b922af2a000 00:00 0
2b922bb9b000-2b922bbdc000 rwxs 00000000 00:13 702015                   /dev/shm/mpich_shar_tmpRzHslL (deleted)
2b922bbdc000-2b922bc1d000 rwxs 00000000 00:13 702016                   /dev/shm/mpich_shar_tmptxldsL (deleted)
2b922bc1d000-2b922bc5e000 rwxs 00000000 00:13 702018                   /dev/shm/mpich_shar_tmp1Co4sL (deleted)
2b922bc5e000-2b922bc9f000 rwxs 00000000 00:13 702022                   /dev/shm/mpich_shar_tmpAIzTsL (deleted)
2b922c000000-2b922c021000 rwxp 2b922c000000 00:00 0
2b922c021000-2b9230000000 ---p 2b922c021000 00:00 0
7fff1db64000-7fff1f0fc000 rwxp 7ffffea67000 00:00 0                   [stack]
ffffffffff600000-ffffffffffe00000 ---p 00000000 00:00 0                [vdso]
forrtl: error (76): Abort trap signal
Image             PC             Routine          Line       Source
libc.so.6       0000003B01630265  Unknown             Unknown  Unknown
libc.so.6       0000003B01631D10  Unknown             Unknown  Unknown
libc.so.6       0000003B0166A84B  Unknown             Unknown  Unknown
libc.so.6       0000003B01672FAE  Unknown             Unknown  Unknown
libc.so.6       0000003B01674CDE  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F598FD  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F5B6B1  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F515BC  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F52365  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F52733  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000F50855  Unknown             Unknown  Unknown
vasp5.3-mpich2    0000000000459100  Unknown             Unknown  Unknown
vasp5.3-mpich2    00000000004AA19F  Unknown             Unknown  Unknown
vasp5.3-mpich2    00000000009A0D7A  Unknown             Unknown  Unknown
vasp5.3-mpich2    000000000044A246  Unknown             Unknown  Unknown
vasp5.3-mpich2    00000000004072EC  Unknown             Unknown  Unknown
libc.so.6       0000003B0161D994  Unknown             Unknown  Unknown
vasp5.3-mpich2    00000000004071F9  Unknown             Unknown  Unknown

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