Hello Steve Sir,
Thanking you very much.
Here is the link:
http://lammps.sandia.gov/inputs/in.shear.txt
Sir i want to know that how can i maintain temperature raise smooth at higher time step also. Here i am facing one typical problem in my simulation. The output of some part shows like bellow:
Step Temp TotEng dispp
292 0 -679.08341 167.51943
1000 0.018591018 -679.07809 167.52119
2000 0.04390138 -679.0781 167.52142
3000 0.04883689 -679.07804 167.52134
4000 0.049628956 -679.07602 167.52177
5000 0.083031825 -679.08007 167.52076
6000 0.1007779 -679.07855 167.51997
7000 0.08762227 -679.07547 167.52375
8000 0.13844412 -679.07863 167.52442
9000 0.15133387 -679.07525 167.52237
10000 0.15975167 -679.07403 167.52068
11000 7.2844115 -678.86733 167.52997
12000 7.3307709 -678.875 167.56631
13000 9.2866963 -678.83288 167.53354
14000 19.808395 -678.54586 167.62493
15000 90.135771 -676.5707 168.2509
16000 386.70152 -671.02858 171.56043
17000 897.21914 -659.85494 183.23054
18000 12173491 110032.81 10381.154
ERROR on proc 0: Failed to allocate 1560506064 bytes for array neigh:binhead
[viblab.iitd.ac.in:10646] MPI_ABORT invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1
Thanking you
apurba