<div dir="ltr">Respected Sir,<br><br>I am doing some adsorption studies with anatase(101) surface with ultrasoft pseudopotentials. my surface model is 2x1x2 with 15 angstroms vaccum space. I am able to run in parallel with water adsorbed on the TiO2 surface. the moment when i replaced water molecule with 2-Cyano-3-phenyl-acrylic acid it is not doing any calculations in parallel. According to the process pid it is showing that in all nodes the job has distributed, but doing nothing. I tried with several options with npool and number of processors. please help me in this regard.<br>
<br><br clear="all">yours sincerely,<br> <br>K.Srinivas<br><br>
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