Dear all, I had a crash problem in running virtual.x within qe-5.4.0. Actually, two or three years ago I have ever used virtual.x to mix PPs. At that time it could run well within qe-4.3.2. Could you give me some suggestions on the current problem?
Virtual.x was run in a command line mode, and the errors were * Generate the UPF pseudopotential for a virtual atom* * combining two pseudopootentials in UPF format* * Input PP file # 1 in UPF format > O.pz-n-rrkjus_psl.1.0.0.UPF* * IOS= 0 1 4* * Reading pseudopotential file in UPF format...* * %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%* * Error in routine scan_begin (1):* * No HEADER block* * %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%* * stopping ...* *Attempting to use an MPI routine before initializing MPI* Bests Fang -- ------------------------------------------------------------------------------------------------------------ Yue-Wen FANG, PhD student East China Normal University <http://english.ecnu.edu.cn/>, China Japan Fine Ceramics Center, Japan
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