[Wien] Problem with wien2k 11

2012-06-29 Thread Ghosh SUDDHASATTWA
You can see the OPTIONS file. It works very well for me. current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback current:LDFLAGS:$(FOPT) -L/opt/intel/Compiler/11.1/080/mkl/lib/em64t -pthread

[Wien] Problem with wien2k 11

2012-06-28 Thread Jameson Maibam
Dear Prof. Blaha, I have installed wien2k11 in my dell core2duo laptop with composer xe 11 update 9 (l_fcompxe_intel64_2011.11.339_1). I can sucessfully run TiC, VC, ScC and similar compounds in fcc structure. But when I tried to calculate ZrO2 in monoclinic structure I got the following

[Wien] Problem with wien2k 11

2012-06-28 Thread Peter Blaha
You have to read the mailing list and search it for such problems. It was addressed several time recently: Most likely (unless you do something else wrong) it is the version of ifort. As far as we know, the last stable release is: composerxe-2011.3.174 More recent versions are all more or less

[Wien] problem with wien2k 11

2012-06-25 Thread Jameson Maibam
Dear wien2k users and developers, I have successfully compiled wien2k 11 in my hp pavilion core i3 desktop. I have used intel fortran composer_xe_2011_sp1.9.293. but when I tried to run TiC I got the following error message: cycle 1 (Mon Jun 25 15:49:58 IST 2012) (40/99 to go)lapw0

[Wien] problem in wien2k 11 installation

2012-05-27 Thread Jameson Maibam
Dear sir ? As per your instruction I type in the terminal? ldd $WIENROOT/lapw0 and I got ? ? ?[root at localhost wien2k]# ldd $WIENROOT/lapw0linux-vdso.so.1 = (0x7fff9cfff000) libmkl_intel_lp64.so = not found libmkl_intel_thread.so = not foundlibmkl_core.so = not found libpthread.so.0 =

[Wien] problem in wien2k 11 installation

2012-05-26 Thread Laurence Marks
Note, the not found occurs in both cases. Do a make clean in the lapw1 directory then recompile that alone. Copy it to $WIENROOT then do ldd again. It may also be that you have incorrect library options. To avoid this I normaly use -i-static On May 26, 2012 2:32 PM, Jameson Maibam

[Wien] problem in wien2k 11 installation

2012-05-16 Thread Jameson Maibam
Dear ? Prof P. Blaha ? I have installed WIEN2k 11 with composer_xe_2011_sp1.9.293 in my dell inspiron 1525 core2duo laptop. There were no errors encountered during the compilation. But when I tried to run TiC I got the following message ? /home/james/wien2k/lapw0: error while loading shared

[Wien] problem in wien2k 11 installation

2012-05-16 Thread Peter Blaha
Did you run userconfig_lapw ??? Do you include the source ...intel-config files and source mkl-files in your bashrc file ? (see some recent instructions how these files are actually called). Clearly, something is wrong with your environment. The error clearly says that when it wants to