Installing xcrysden
Hello,
I have downloaded the source file of xcrysden and I have un-tar it. I do not understand this part of the installation manual: "each user should define two environmental variables: XCRYSDEN_TOPDIR and XCRYSDEN_SCRATCH. This can be facilitated by the xcConfigure script which in addition asks some questions and configures the package accoring to user's wishes. From XCrySDen root directory execute: ./xcConfigure" How should I define XCRYSDEN_TOPDIR and XCRYSDEN_SCRATCH ? Thanks for your help. |
first off just what did you download ?
http://www.xcrysden.org/Download.html#__toc__1 the source code ? xcrysden-1.5.53.tar.gz or the prebuilt shared xcrysden-1.5.53-linux_x86_64-shared.tar.gz i had to search you to find out you are using OpenSUSE12.1 ( it hits it's End of Life in 91 days ) -- time to think of installing OpenSUSE 12.2 the instructions will be very different depending on just what you downloaded Quote:
-- life with SUSE INSTALL the prerequisites !!! tk/tcl mesa ( the nvidia.run provides some of this but changes mesa so it you have a nvidia card and use the .run reinstall mesa ) Code:
su - you set the variable from the install instructions http://www.xcrysden.org/doc/install.html run the script "./xcConfigure" or manually i am using "/usr/opt/xcrysden" in this example make the folder " scratch " Code:
su - edit ~/.profile -- see text below then log out and back in 2) system wide make a new text file called "/etc/profile.local" -- then reboot !!! -- see text below add this text EDITED FOR YOUR SETUP and install location i am using /usr/opt/xcrysden Code:
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Thanks for your detailed response and thank you for searching me to find to see what linux I am using. "Today" I am using Fedora 18, the reason I shifted to Fedora was the constant failure of opensuse while I was running my codes and the time to time hanging of my laptop !!! (I hope it is not an offence to anyone, but that's what happened to me)
Getting back to xcrysden: I have downloaded the source code. I followed the steps like this: 1. tar -zxvf xcrysden-1.5.53.tar.gz 2. cd xcrysden-1.5.53 3. su 4. XCRYSDEN_TOPDIR=/usr/local/xcrysden 5. XCRYSDEN_SCRATCH=/usr/local/xcrysden_scratch 6. mkdir /usr/local/xcrysden_scratch 7. cd scripts 8. ./xcConfigure 9. answering the questions .... 10. source ~/.bashrc 11. xcrysden and here is the result: Quote:
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#3 : Fedora 18 and xcrysden-1.5.53 : No issues.
( The 32bits (i686) Fedora 18 was used for the test build.) Your issues : May be you are using an old "Instruction" ? Please see the file README : 3.2 COMPILATION:, line 123. Prerequisites : # yum install gcc-c++ gcc-gfortran fftw-devel tcl-devel tk-devel \ mesa-libGLU-devel mesa-libGL-devel wget Suggest : Unpack xcrysden-1.5.53.tar.gz in /home/sara/ : tar xvf xcrysden-1.5.53.tar.gz && cd xcrysden-1.5.53/ cp system/Make.sys-shared Make.sys make all .. And after a successful make the command $ ./xcrysden .. will open the "Xcrysden GUI" No extra settings are required, but are automatically set to: XCRYSDEN_TOPDIR=/home/<name>/xcrysden-1.5.53 XCRYSDEN_SCRATCH=/tmp ( Settings may be required if you choose to do # make install ). - |
Thanks for your post. I took all your suggestions and this is the results I got:
Quote:
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This is strange, I am seeing xcLib.sh in /home/sara/CODES/xcrysden-1.5.53/scripts
Why does it want to read this file from /home/sara/CODES/xcrysden-1.5.53-bin-shared ?!?!?! |
#5, #6 : Don't know.
This is the text in the terminal, when xcrysden has started : Code:
$ ./xcrysden |
switch from opsesuse 12 to fedora 18
odd opensuse is normally much more stable than fedora , from my experience. i do not have a fedora install so ... fallow knudfl instructions for the source build ( his 32 bit build looks like it works with fedora18's gcc 4.7.2 and gcc-fortran 4.7 ) --- i would have thought there would be issues , but i would have been wrong --- Quote:
double check it "xcrysden-1.5.53-bin-shared" dose not match "XCRYSDEN_TOPDIR=/home/sara/CODES/xcrysden-1.5.53" do you have a folder in the SAME folder as xcrysden-1.5.53 /home/sara/CODES/xcrysden-1.5.53 /home/sara/CODES/xcrysden-1.5.53-bin-shared or is "xcrysden-1.5.53-bin-shared" in the "xcrysden-1.5.53" folder --- edited later --- i just did the source build on opensuse 12.2 64 bit using ONLY "knudfl instructions" from the "xcrysden-1.5.53/" folder Code:
unset then from ~/.bashrc or ( for fedora ) /etc/profile depending on what you used to set them then in the "xcrysden-1.5.53/" folder run Code:
make clean |
# 6 : Which Fedora 18 have you got ? i686 or x86_64 ?
This command will tell : $ uname -m # 8 : Seems like there is a bug? in a file.c, which is no problem for gcc-4.7.2. ... Or could be the combination of the all the libraries used at compile time, that just works on Fedora 18. ( Xcrysden fails here too on some "other OS".) - |
it builds and runs on opensuse 12.2 ( gcc 4.7.1 & gfortran4.7 )
i am guessing it is a mix of fallowing the prebuilt instructions for the source build one thing hanamilani there is a README in the source folder using the provided README for a source build is almost always better than instructions on the web normally there is a README ( and / or) INSTALL file ,or a folder called "Doc" in most source code packages use those instructions first before any on the web |
John VV, knudfl
Thanks for the time you put on my question. For those who may encounter the same trouble, I leave the comments that solved my problem as follows: Quote:
I am working on DELL E6510 and I have now installed fedora 18 x86_64 and I usually run codes in parallel using gfortran and mpich2. I am a fan of opensuse, since it was the first linux that helped me get used to linux OS. (I am not an expert but an on/off user) I had opensuse 11.0 for a long time and never encountered a failure or hanging problem even when I was using the full capacity of my processors). But, since I shifted to opensuse 12.00 and higher, I had problems. Even if the system was left out idle after a few minutes, it was like fire burning out of it !!! Or when I wanted to run my code in parallel with 4 cpus, it started shouting !!! Another case was when I was working with mono it hanged all the time. People would tell me that it is the problem of my graphic card. But it remained a mystery for me until I shifted to fedora. Now, my laptop works fine and runs day and night with no extra heat, no shout, no hang !!! But still I am interested to know where I was going wrong with opensuse. Thanks again... |
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