Simulation error considering MXNX,MXNY,MXNZ
Hello!
I tried a simulation of a gold nanorod with size 41.1nm X 14.3nm (SHPAR1=26.8, SHPAR=14.3) with shape file: Cylinder with End-Caps.
But it crushed every time at the very beginning.
The crush log is as following:
>>>>> FATAL ERROR IN PROCEDURE: EXTEND
>>>>> need to change MXNX,MXNY,MXNZ in DDSCAT and recompile
>>>>> EXECUTION ABORTED
And the last part of the output log is as following:
>TARGET: Cyl.prism, NAT= 5932 NFAC= 164 NLAY= 27 asp.ratio= 1.8685
5932 = NAT0 = number of dipoles in target
>DDSCAT returned from TARGET:
>DDSCAT : dimensions of physical target
>DDSCAT -6 34 = min, max values of JX
>DDSCAT -6 7 = min, max values of JY
>DDSCAT -6 7 = min, max values of JZ
>DDSCAT -14.00000 -0.50000 -0.50000 = X0(1-3)
>DDSCAT --- physical extent of target volume (occupied sites) ---
>DDSCAT -20.50000 20.50000 = min, max values of x/d
>DDSCAT -7.00000 7.00000 = min, max values of y/d
>DDSCAT -7.00000 7.00000 = min, max values of z/d
>EXTEND target extent in x,y,z directions = 41, 14, 14 (in Target Frame)
>EXTEND: Fatal error after extending target!:
Extended target extent in x,y,z directions = 45, 15, 15
exceeds dimension limits MXNX,MXNY,MXNZ= 42, 15, 15
I have tried several different sizes but they all failed.
Is there any solution? Thank you for the help!
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AbderRahman N Sobh @ on
The problem is that you are using non-integer values. In the next release we will accommodate allowing decimal values.
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AbderRahman N Sobh @ on
The new version was just published and the crash error should now be fixed. Thank you for noticing this issue so that we could fix it.
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AbderRahman N Sobh @ on
We have currently just published version 1.7f of our nanoDDSCAT tool. I highly recommend re-running your simulations with Cylinders. We have added support for non-integer values and I have been able to successfully run a Cylinder with End-Caps using SHPAR1=26.8, SHPAR2=14.3
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