AICD输出0KB渲染文件求助

wxhwbh · 发表于 Post on 2019-3-16 20:39:07

根据sob老师在http://bbs.keinsci.com/thread-1270-1-1.html的指导在CentOS 7.4安装了AICD 2.0,前面都没问题，但在使用sob老师给的测试文件benzene.out运行时，输出的信息报了这样一个错误：

*** Error in `AICD-rotate_mol': free(): invalid next size (fast): 0x0000000001a581a0 ***

且输出的benzene_40000_0.050_0_0_1_Aniso_4.4.RenderMich大小为0KB，渲染是一片黑色。想问问这个是什么原因导致的呢，该怎么解决呢？非常感谢！
我把运行AICD的输出信息最后部分也粘贴在这：

Welcome to PovChem! This is version 1.00. For general
instructions see http://ludwig.scs.uiuc.edu/~paul/Manual.html

Read configuration file "/wbh/soft/AICD/ACID_2_0/AICD-2.0.0/povray-AICD-templates/povchem.cfg".
Read periodic table "/wbh/soft/AICD/ACID_2_0/AICD-2.0.0/povray-AICD-templates/periodic.tab".

Found 12 atoms...
...loaded into memory.
Wrote 12 spheres...
...and read 24 bonds into memory.

Wrote 0 single, 12 double, 0 triple, 0 higher order, and 0 hydrogen bonds.

benzene.inc created.
Writing color and atom definitions...
Writing bond definitions...
Pov header benzene.pov created.

modifying benzene.pov to benzene_40000_0.050_0_0_1_Aniso_4.4.Molekuel.pov
*** Error in `AICD-rotate_mol': free(): invalid next size (fast): 0x0000000001a581a0 ***
======= Backtrace: =========
/lib64/libc.so.6(+0x7c619)[0x7f044b141619]
AICD-rotate_mol[0x404aee]
AICD-rotate_mol[0x40232f]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x7f044b0e6c05]
AICD-rotate_mol[0x4037af]
======= Memory map: ========
00400000-00406000 r-xp 00000000 fd:00 33584911                         /wbh/soft/AICD/ACID_2_0/AICD-2.0.0/AICD-rotate_mol
00605000-00606000 r--p 00005000 fd:00 33584911                         /wbh/soft/AICD/ACID_2_0/AICD-2.0.0/AICD-rotate_mol
00606000-00607000 rw-p 00006000 fd:00 33584911                         /wbh/soft/AICD/ACID_2_0/AICD-2.0.0/AICD-rotate_mol
01a58000-01a79000 rw-p 00000000 00:00 0                               [heap]
7f0444000000-7f0444021000 rw-p 00000000 00:00 0
7f0444021000-7f0448000000 ---p 00000000 00:00 0
7f044b0c5000-7f044b27d000 r-xp 00000000 fd:00 33586733                /usr/lib64/libc-2.17.so
7f044b27d000-7f044b47d000 ---p 001b8000 fd:00 33586733                /usr/lib64/libc-2.17.so
7f044b47d000-7f044b481000 r--p 001b8000 fd:00 33586733                /usr/lib64/libc-2.17.so
7f044b481000-7f044b483000 rw-p 001bc000 fd:00 33586733                /usr/lib64/libc-2.17.so
7f044b483000-7f044b488000 rw-p 00000000 00:00 0
7f044b488000-7f044b49d000 r-xp 00000000 fd:00 33554508                /usr/lib64/libgcc_s-4.8.5-20150702.so.1
7f044b49d000-7f044b69c000 ---p 00015000 fd:00 33554508                /usr/lib64/libgcc_s-4.8.5-20150702.so.1
7f044b69c000-7f044b69d000 r--p 00014000 fd:00 33554508                /usr/lib64/libgcc_s-4.8.5-20150702.so.1
7f044b69d000-7f044b69e000 rw-p 00015000 fd:00 33554508                /usr/lib64/libgcc_s-4.8.5-20150702.so.1
7f044b69e000-7f044b79f000 r-xp 00000000 fd:00 33586741                /usr/lib64/libm-2.17.so
7f044b79f000-7f044b99e000 ---p 00101000 fd:00 33586741                /usr/lib64/libm-2.17.so
7f044b99e000-7f044b99f000 r--p 00100000 fd:00 33586741                /usr/lib64/libm-2.17.so
7f044b99f000-7f044b9a0000 rw-p 00101000 fd:00 33586741                /usr/lib64/libm-2.17.so
7f044b9a0000-7f044ba89000 r-xp 00000000 fd:00 33586791                /usr/lib64/libstdc++.so.6.0.19
7f044ba89000-7f044bc89000 ---p 000e9000 fd:00 33586791                /usr/lib64/libstdc++.so.6.0.19
7f044bc89000-7f044bc91000 r--p 000e9000 fd:00 33586791                /usr/lib64/libstdc++.so.6.0.19
7f044bc91000-7f044bc93000 rw-p 000f1000 fd:00 33586791                /usr/lib64/libstdc++.so.6.0.19
7f044bc93000-7f044bca8000 rw-p 00000000 00:00 0
7f044bca8000-7f044bcc9000 r-xp 00000000 fd:00 33586726                /usr/lib64/ld-2.17.so
7f044beaf000-7f044beb4000 rw-p 00000000 00:00 0
7f044bec7000-7f044bec9000 rw-p 00000000 00:00 0
7f044bec9000-7f044beca000 r--p 00021000 fd:00 33586726                /usr/lib64/ld-2.17.so
7f044beca000-7f044becb000 rw-p 00022000 fd:00 33586726                /usr/lib64/ld-2.17.so
7f044becb000-7f044becc000 rw-p 00000000 00:00 0
7ffe20e04000-7ffe20e25000 rw-p 00000000 00:00 0                         [stack]
7ffe20fc7000-7ffe20fc9000 r-xp 00000000 00:00 0                         [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0                [vsyscall]
/wbh/soft/AICD/ACID_2_0/AICD-2.0.0/AICD: line 656: 49453 Aborted                (core dumped) $Animation $inputbasename.pdb $Atom1 $Atom2 $Atom3 < "$RenderMich" > $Pov_RenderMich_pov
Replacing Camera Postion to \<0, 0, -250\>
Inserting #version directive in RenderMich.pov
calling Replace_Pov_Filenames benzene_40000_0.050_0_0_1_Aniso_4.4.Isoober.inc
calling Replace_Pov_Filenames benzene_40000_0.050_0_0_1_Aniso_4.4.Molekuel.inc
calling Replace_Pov_Filenames benzene_40000_0.050_0_0_1_Aniso_4.4.Molekuel.pov
calling Replace_Pov_Filenames benzene_40000_0.050_0_0_1_Aniso_4.4.RenderMich.pov
calling Replace_Pov_Filenames benzene_40000_0.050_0_0_1_Aniso_4.4.Rotate.inc
calling AICD-isocut -m -1 -M -1 -r 10000000 < benzene_40000_0.050_0_0_1_Aniso_4.4.Isoober.inc.noncut > benzene_40000_0.050_0_0_1_Aniso_4.4.Isoober.inc
This is AICD-isocut....
  arrow_maxlength = -1
  arrow_minlength = -1
  Point of origin:  0 0 0
  Maximum distance: 1e+07
Number of deleted arrows: 0

Call PovRay manually with the following commandline:

povray +FN +ibenzene_40000_0.050_0_0_1_Aniso_4.4.RenderMich.pov +obenzene_40000_0.050_0_0_1_Aniso_4.4.png /wbh/soft/AICD/ACID_2_0/AICD-2.0.0/povray-AICD-templates/AICD-pov.ini -P -W1024 -H768

chmdong · 发表于 Post on 2019-9-25 19:52:03

请问问题解决了吗？我也遇到了同样的问题！

wxhwbh · 发表于 Post on 2019-9-25 21:47:16

chmdong 发表于 2019-9-25 19:52
请问问题解决了吗？我也遇到了同样的问题！

与原作者沟通后得知是gcc版本过高的问题，用gcc4.4-4.5编译不会有问题。
若不想换gcc版本，可以按照此贴方法安装：http://bbs.keinsci.com/thread-13577-1-1.html

chmdong · 发表于 Post on 2019-9-26 20:28:15

多谢多谢！

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[波函数分析求助] AICD输出0KB渲染文件求助