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<div data-draftjs-conductor-fragment="{"blocks":[{"key":"6famt","text":"Hello, ","type":"unstyled","depth":0,"inlineStyleRanges":[],"entityRanges":[],"data":{}},{"key":"7br8n","text":"I have installed BURAI, and tried to run it using openmpi, as well as intel mpi (in that case, used re-compiled QE .x files). The interface works well, and I am able to create the espresso.in job files without problem. I use Ubuntu 10.8.","type":"unstyled","depth":0,"inlineStyleRanges":[{"offset":180,"length":11,"style":"UNDERLINE"}],"entityRanges":[{"offset":180,"length":11,"key":0}],"data":{}},{"key":"4m78q","text":"However, I cannot run them: it seems that the program tries to run mpirun without the appropriate path to the espresso.in file (see attached picture).","type":"unstyled","depth":0,"inlineStyleRanges":[{"offset":110,"length":11,"style":"UNDERLINE"}],"entityRanges":[{"offset":110,"length":11,"key":1}],"data":{}},{"key":"6rvoe","text":" ","type":"atomic","depth":0,"inlineStyleRanges":[],"entityRanges":[{"offset":0,"length":1,"key":2}],"data":{}},{"key":"c9duu","text":"","type":"unstyled","depth":0,"inlineStyleRanges":[],"entityRanges":[],"data":{}},{"key":"4mu45","text":"When I run from the terminal pw.x being in the Burai case directory (using the path registered in Burai, like 'mpirun -np 10 /home/user/BURAI1.3.2/exec.LINUX/qe_openmpi/pw.x -in espresso.in') pw.x runs fine, so mpirun or Qespresso are not the problem.","type":"unstyled","depth":0,"inlineStyleRanges":[{"offset":178,"length":13,"style":"UNDERLINE"}],"entityRanges":[{"offset":178,"length":13,"key":3}],"data":{}}],"entityMap":{"0":{"type":"LINK","mutability":"MUTABLE","data":{"url":"espresso.in","target":"_blank","rel":"nofollow ugc"}},"1":{"type":"LINK","mutability":"MUTABLE","data":{"url":"espresso.in","target":"_blank","rel":"nofollow ugc"}},"2":{"type":"wix-draft-plugin-file-upload","mutability":"IMMUTABLE","data":{"config":{"alignment":"center","size":"content","textWrap":"wrap"},"configViewer":{"downloadTarget":"_blank"},"name":"Capture.JPG","type":"JPG","mimeType":"image/jpeg","path":"/1eec5f91-8970-4c70-83ab-f06b8d4d21fa/bdabdbd7f559421b873685a7dacd2352-Capture.JPG","size":17563,"id":"d172b58586f44f1abaaebb85d6b25ce4"}},"3":{"type":"LINK","mutability":"MUTABLE","data":{"url":"espresso.in')","target":"_blank","rel":"nofollow ugc"}}},"VERSION":"8.65.8"}" style="white-space: pre-wrap;"><span data-offset-key="79i7s-0-0"><span data-text="true">I have installed BURAI 1.3.2, and tried to run it using openmpi, as well as intel mpi (in that case, I used re-compiled QE .x files). </span></span>
<span data-offset-key="79i7s-0-0"><span data-text="true"></span></span><div class="_25Ehb _3qYRK _2E18H public-DraftStyleDefault-block-depth0 public-DraftStyleDefault-text-ltr rich_content_P" data-block="true" data-editor="editor" data-offset-key="79i7s-0-0"><div data-offset-key="79i7s-0-0" class="public-DraftStyleDefault-block public-DraftStyleDefault-ltr"><span data-offset-key="79i7s-0-0"><span data-text="true">
The interface works well, and I am able to create the </span></span><a data-hook="linkViewer" href="http://espresso.in" target="_blank" rel="noopener noreferrer nofollow ugc" class="_3Bkfb Bg5MT forum-links-hashtags-color css-rybbkz _1lsz7"><span data-offset-key="79i7s-1-0" style="text-decoration: underline;"><span data-text="true">espresso.in</span></span></a><span data-offset-key="79i7s-2-0"><span data-text="true"> job files without problem (I use Ubuntu 10.8).
</span></span></div></div><div class="_25Ehb _3qYRK _2E18H public-DraftStyleDefault-block-depth0 public-DraftStyleDefault-text-ltr rich_content_P" data-block="true" data-editor="editor" data-offset-key="4evgv-0-0"><div data-offset-key="4evgv-0-0" class="public-DraftStyleDefault-block public-DraftStyleDefault-ltr"><span data-offset-key="4evgv-0-0"><span data-text="true">However, I cannot run them: it seems that the program tries to run mpirun without the appropriate path to the </span></span><a data-hook="linkViewer" href="http://espresso.in" target="_blank" rel="noopener noreferrer nofollow ugc" class="_3Bkfb Bg5MT forum-links-hashtags-color css-rybbkz _1lsz7"><span data-offset-key="4evgv-1-0" style="text-decoration: underline;"><span data-text="true">espresso.in</span></span></a><span data-offset-key="4evgv-2-0"><span data-text="true"> file. The error reads "command: /usr/bin/mpirun -np 10" without a target)
.</span></span></div></div><div class="_25Ehb _3qYRK _2E18H public-DraftStyleDefault-block-depth0 public-DraftStyleDefault-text-ltr rich_content_P" data-block="true" data-editor="editor" data-offset-key="cr3ua-0-0"><div data-offset-key="cr3ua-0-0" class="public-DraftStyleDefault-block public-DraftStyleDefault-ltr"><span data-offset-key="cr3ua-0-0"><span data-text="true">When I run from the terminal pw.x, being in the Burai case directory (using the path registered in Burai, like '/usr/bin/mpirun -np 10 /home/user/BURAI1.3.2/exec.LINUX/qe_openmpi/pw.x -in </span></span><a data-hook="linkViewer" href="http://espresso.in" target="_blank" rel="noopener noreferrer nofollow ugc" class="_3Bkfb Bg5MT forum-links-hashtags-color css-rybbkz _1lsz7"><span data-offset-key="cr3ua-1-0" style="text-decoration: underline;"><span data-text="true">espresso.in')</span></span></a><span data-offset-key="cr3ua-2-0"><span data-text="true"> pw.x runs fine, so mpirun or Qespresso are not the problem.
Thanks for any help on this.
</span></span></div></div></div>
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