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Archive for April 2010
1. by default, while using cff91, 1-2, 1-3 pairs are excluded. But 1-4 pair is considered as nonbond pairs. This is valid for both vdW and electrostatic interactions.
Continue reading ‘Nonbond interactions in Materials Studio and unit conversion’ »
I occasionally got this error while running some mpi programs. I could not find the exact reason. Even when I google it, it seems no relevant explanation of it. By investigating the codes with debugger, I notices some data in the memory are huge, when I correct them, the error information was gone too. Therefore I guess this error is related to the expression of illegal numbers. However, I would like to know more about it if someone can point out the exact reason.
DeinoMPI is an implementation of MPI-2 for Microsoft Windows. DeinoMPI is a derived work from MPICH2 provided by Argonne National Lab. By starting with the MPICH2 code base DeinoMPI inherits a stable and complete implementation of the MPI-2 standard. DeinoMPI heavily modifies the original code base and does not rely on anything from Argonne National Lab.
Continue reading ‘An MPI implementation I didn’t know before’ »
According to the article “Mounting smbfs Shares Permanently Help File” published on JustLinux by Ray Cowan, we could mount a Windows shared folder automatically using /etc/fstab. There are many discussions about how to do this on the internet. E.g. some people suggest using ~/.bashrc or ~/.bash_profile to fulfill this. But there are not the right solution. Because the mounting should only be done once not more. The essential thing in Ray’s article is one can use options of smbmount command in fstab. The working format looks like
Continue reading ‘Mount Windows shared folders automatically with fstab’ »
Modify config_inc.php and add
1 2 3 4 5 6 7 8 | $g_enable_project_documentation = ON; $g_smtp_host = 'localhost'; $g_window_title = 'SimuWorld Bugtracker'; $g_logo_image = 'images/mantis_logo.gif'; $g_favicon_image = 'images/favicon.ico'; //The following line add two custom menu items with different access level controls //The contants used here can be found in ./core/constant_inc.php, e.g. DEVELOPER, ANYBODY etc. $g_main_menu_custom_options = array( array( "WebSVN",DEVELOPER,'url_to_websvn' ),array( "test", ADMINISTRATOR,'' ) ); |
To get subversion+apache2 work on Debian is not very difficult. Basically including the following steps (ref: this post): Continue reading ‘Subversion+websvn on Debian’ »
Virtualbox支持客户机和宿主机之间共享目录，但是根据版本不同，会有些问题。例如对于3.1.x版本，windows XP host和Debian guest组合下，VBox自己的共享目录（写入）性能极差甚至报错（本人遇到）。其实，在客户机和宿主机之间共享文件的还有一些其他方式，例如可以通过ftp或samba，二者都支持所有操作系统下的共享，但是相比之下samba更具优点，因为在Windows和Linux下都可以把Samba共享目录映射为本地磁盘目录。
1. Change the default keyboard shortcuts to ctrl+c and ctrl+v. They are more common shortcuts on most OS.
2. Highlighting texts and Middle mouse button clicking will do copy/paste. These are similar to the operation in PuTTY where right mouse button click is used.
After a fresh installation everything seems work fine on my Debian. But for a non-root user, the volume control widget on the gnome desktop shows a little red cross, and there is no sound. It’s good if you hate playing music while you are working. However, in case you want it, there is a simple way. By default there is a group named ‘audio’ on Debian, the users in this group automatically get sound:) Root is of course one of them. If you also want sound, add yourself to that group by ‘adduser yourname audio’ then restart.
