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Molekel - Message forums

crash when reading molden file

Submitted by Markus Doerr; posted on Thursday, September 20, 2007

Hi, when trying to read a molden file (generated from turbomole data by tm2molden) molekel crashes with the following error messages: [ATOMS] section read! *** glibc detected *** bin/Molekel: free(): invalid next size (normal): 0x086097b0 *** ======= Backtrace: ========= [...] There is nothing special with the molekel file except that it contains f basis functions (TZVPP basis set). Also the ordering of the basis functions is the same as that of the atoms. I am using molekel 5.2 on a Linux x86_64 system, but I get the same error with molekel 5.1 and even with the old molekel 4.3. Can anybody give me a hint what the cause of this problem is? Thanks in advance Markus

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