Re: [Wien] error in dstart in Wine2k_16- "undefined symbol"

Dear Prof. Gavin Abo, I am very much grateful to you for your elaborate explanation of installing ifort variables. I did find /opt -name "libimf*" and it gave find: `/opt/test': Permission denied find: `/opt/intel/ism/lib': Permission denied So I tried to search the libimf.a manually (Before I

Re: [Wien] error in dstart in Wine2k_16- "undefined symbol"

The libimf.a & libimf.so will not be were you installed WIEN2k.  Those two files should be were the Intel Fortran compiler was installed, because they should come with the ifort program. If ifort was already installed by the manager(s) of your cluster (i.e., administrators, help desk team, or

Re: [Wien] error in dstart in Wine2k_16- "undefined symbol"

Dear Prof. Gavin Abo, thanks for your quick reply. I searched for libimf.a & libimf.so in the remote cluster where I was installed wine2k. But I could not found them. I already wrote the "source /path to compilevars.sh intel64" in .bashrc of my directory/user account. Now, I want to install

Re: [Wien] error in dstart in Wine2k_16- "undefined symbol"

I believe the __libm_sse2_sincos symbol is defined in the files called libimf.a or libimf.so.  If the Intel Fortran compiler is installed in the default location, then both of those files are usually in the /opt/intel/lib/intel64 directory on a 64 bit system. Do those two files exist on your

[Wien] error in dstart in Wine2k_16- "undefined symbol"

Dear wien2k users, I have successfully complied Wine2k_16 and start to run init_lapw for the MnSb compound. Up to kgen it was successfully done. But for dstart it shows error as given below. === next is dstart > dstart -c -p(22:46:57)

Re: [Wien] Error in dstart phase

What Intel Fortran version did you use to compile WIEN2k (e.g., terminal command: ifort -v)?  What serial compiler settings did you use to build dstart in single mode (e.g., terminal command: cat $WIENROOT/WIEN2k_OPTIONS)? There is a higher chance that the error is caused by a broken version

[Wien] Error in dstart phase

Dear users, I am running Wien under fortran compiler. The purpose of my calculations is to have the vibration modes of PbBr4 (1D chain).To do so, I generated, using the Phonopy program, 30 supercells starting from the PbBr4.struct. The problem is that I did not achieve the initialization. After

Re: [Wien] error in dstart

Seems a bit odd.  Usually, if you see that error, it first occurs earlier during initialization (i.e., dstart in init_lapw) or during a lapw step during the scf calculation [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04721.html ]. It depends a bit on how you configure

[Wien] error in dstart

Dear All While running a band structure calculation, I got the following error: *dstart: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory* Could someone help me to resolve this issue? Thanks and Regards Muralikrishna M

Re: [Wien] Error in dstart

Your RMT values are far too small. This is a completely wrong structure. a) It is not Mo2C, but your stoichiometry is 3:1 ! b) Mo-Mo distances should be such that RMTs of at least 1.6-2.0 are possible. On 09/01/2016 07:54 AM, Shakeel Khandy wrote: Dear Sir, The structure File of Mo2C is

Re: [Wien] Error in dstart

Dear Sir, The structure File of Mo2C is mentioned below Title H LATTICE,NONEQUIV.ATOMS: 2 194_P63/mmc MODE OF CALC=RELA unit=ang 5.692500 5.692500 8.960102 90.00 90.00120.00 ATOM -1: X=0.3000 Y=0.6000 Z=0.2500 MULT= 6 ISPLIT= 8 -1:

Re: [Wien] Error in dstart

Hi Check the struct file, it's likely to be wrong. On Wed, Aug 31, 2016 at 1:43 PM, Lyudmila Dobysheva wrote: > 31.08.2016 10:24, Shakeel Khandy wrote: > >> While initilizing Mo2C structure in 194 spacegroup, i got the following >> error >> At line 132 of file init.F (unit =

Re: [Wien] Error in dstart

31.08.2016 10:24, Shakeel Khandy wrote: While initilizing Mo2C structure in 194 spacegroup, i got the following error At line 132 of file init.F (unit = 81, file = 'Mo2C.rsp') Fortran runtime error: End of file 0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w > When i checked the case.ino, it was

[Wien] Error in dstart

Dear Wien2k Users, Please help me to sort out the propblem. While initilizing Mo2C structure in 194 spacegroup, i got the following error At line 132 of file init.F (unit = 81, file = 'Mo2C.rsp') Fortran runtime error: End of file 0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w When i checked the

[Wien] Error in DSTART: 'ROTDEF' - no symmetry operation found.

Dear Prof.Blaha * I am running wien version 13 on a machine of type 8 cores with operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler ifort and math libraries cc. * The purpose of my calculations is to get quantity structure and optic. * I am running supercell of

Re: [Wien] Error in DSTART: 'ROTDEF' - no symmetry operation found.

I ran x nn on the supercell1 file that you sent in WIEN2k 14.2 and it fails: username@computername:~/Desktop/KTiOPO4$ ls supercell1 username@computername:~/Desktop/KTiOPO4$ mv supercell1 KTiOPO4.struct username@computername:~/Desktop/KTiOPO4$ x nn specify nn-bondlength factor: (usually=2) [and

[Wien] Error in dstart

Dear Developers and users, I am working on a monoclinic structure with space group C2/m (12), although this space group is not supported in the structgen on w2web interface I managed to convert it properly by hand and started the initialization though in the 18th phase of the initialization I

Re: [Wien] Error in dstart

That can happen if you did not run x lstart or there can be an earlier problem (typically, from an improper case.inst or case.struct) such that the running of x lstart is unsuccessful [http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html]. On 6/1/2014 6:54 PM, Farshad

[Wien] error in dstart

Respected Prof. Blaha and Dear Wien2k users, Presently i am working with NaCl structure. During the initialisation of the structure it stops on x dstart with showing an error given below: Error, structure doesnot appear to have variable positions! Pairhess - Error. check file pairhess.error.