I don't see the case.struct attached and all the input/output of
init_lapw up to dstart. So I can only guess that the error is likely
caused by a problem with your case.struct [1-3].
[1]
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10795.html
[2]
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12703.html
[3]
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html
On 5/2/2016 8:02 AM, shamik chakrabarti wrote:
Dear wien2k users,
I have tried to simulate force optimization
of a spinel cubic compound. Prior to this volume optimization has been
run & without getting any error. However, while the volume optimized
struct file (just changes the lattice parameter to the newly optimized
parameter & kept every other things intact) was used in initilization,
during 'dstart' the following error appears,
forrtl: severe (24): end-of-file during read, unit 81, file
/home/wien2k/Desktop/Wien_Computations/Aditya/MNT_f/MNT_f.rsp
Image PC Routine Line Source
dstart 0000000000456786 Unknown Unknown Unknown
dstart 000000000040F74E init_ 132 init.F
dstart 000000000040E4B1 MAIN__ 15 dstart.F
dstart 0000000000403A36 Unknown Unknown Unknown
libc.so.6 0000003FE5E1ED5D Unknown Unknown Unknown
dstart 0000000000403929 Unknown Unknown Unknown
0.006u 0.003s 0:00.04 0.0% 0+0k 0+32io 0pf+0w
error: command /home/wien2k/Wien2k_5_7_2015/WIEN2k/dstart dstart.def
failed
It appears that there is some problem in case.rsp file.
Any response in this regard is highly appreciated.
Thanks in advance.
with regards,
--
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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