I am trying to run a scientific command line program (Dragon for the calculation of chemical properties) under Wine. Unfortunately some parameters are calculated differently when the program is executed under Windows XP and Wine, although the executable and the input files are the same. The results are the same with different Wine versions (wine-1.0 Ubuntu Hardy wine-0.9.25 Debian Etch, unknown wine version RH Enterprise). Most of the calculated parameters are identical between Windows and Wine, the remaining differences are sometimes minor (like round off errors), sometimes changed signs and sometimes completely different values. Running Dragon under Wine leads to a lot of fixme messages, but they seem to be related to GUI elements that I do not use. As I have little experience with Windows I have almost no idea what might lead the differing numerical calculations and how to achieve identical results with Wine. Do you think it would make sense to try native DLL's or are there other settings that could affect numerical calculations? Thanks a lot! Christoph
helma wrote:> I am trying to run a scientific command line program (Dragon for the calculation of chemical properties) under Wine. Unfortunately some parameters are calculated differently when the program is executed under Windows XP and Wine, although the executable and the input files are the same. > > The results are the same with different Wine versions (wine-1.0 Ubuntu Hardy wine-0.9.25 Debian Etch, unknown wine version RH Enterprise). Most of the calculated parameters are identical between Windows and Wine, the remaining differences are sometimes minor (like round off errors), sometimes changed signs and sometimes completely different values. Running Dragon under Wine leads to a lot of fixme messages, but they seem to be related to GUI elements that I do not use. > > As I have little experience with Windows I have almost no idea what might lead the differing numerical calculations and how to achieve identical results with Wine. Do you think it would make sense to try native DLL's or are there other settings that could affect numerical calculations? > > Thanks a lot! > ChristophIs this the software? http://www.mwsoftware.com/dragon/ How can I reproduce the problem if I download it? You could try a native msvcrt.dll
[quote="jeffz"] Is this the software? http://www.mwsoftware.com/dragon/ [/quote] No, this is a link to the correct software: http://www.talete.mi.it/products/dragon_description.htm, it is unfortunately commercial (I have not tried with the evaluation version). [quote="jeffz"] How can I reproduce the problem if I download it? You could try a native msvcrt.dll [/quote] Thanks for the msvcrt.dll tip! I will try and see what happens. If this does not help and the same problem occurs with the evaluation version I will post the input files on this board. Christoph Helma