# \_OPT file is not generated for conducti

**URL:** <https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370>\
**Category:** Ground state\
**Tags:** optic\
**Created:** [July 4, 2023, 6:17pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370 "2023-07-04T18:17:57Z")\
**Posts on this page:** 14\
**Page:** 1

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**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 4, 2023, 6:17pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/1 "2023-07-04T18:17:57Z")

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Hello All,  
I am not able to generate the \_OPT file using prtnabla=1 in PAW method. This file is not generated for abinit-8-\* and above version. Is anyone alo have this type of problem?

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**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 6, 2023, 2:49pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/2 "2023-07-06T14:49:41Z")

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Hello Vinod,

Can you provide a log file of your calculation?  
Bogdan

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**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 6, 2023, 8:12pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/3 "2023-07-06T20:12:24Z")

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Hello sir,  
I have just run GaAs with low k-points (for testing purpose only). But **gaaso\_OPT.nc** type file is generated. I have attached log file also.  
[gaas.log](https://discourse.abinit.org/uploads/short-url/zFQIiWFZFwPDMC6rdVtEISIkxse.log) (65.7 KB)

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<div class="post-metadata">

**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 10, 2023, 10:57am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/4 "2023-07-10T10:57:55Z")

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Hi Vinod,

After some digging, indeed that portion of the code is poorly documented.  
I recommend using a negative value for prtnabla in order to have the binary \_OPT instead of \_OPT.nc  
Let me know if it works for you!  
Bogdan

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 10, 2023, 11:24am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/5 "2023-07-10T11:24:20Z")

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Hello Bogdan,

 ![abinit](https://discourse.abinit.org/uploads/default/original/1X/c427ad29ad0ad5e3c857fbfc6335810e89b6ee46.png)  
[gaas.log](https://discourse.abinit.org/uploads/short-url/20SEG2Y2kInrnG3k0loHy2P3dyT.log) (128.4 KB)  
The \_OPT file is now generated by using of prtnabla = -1, but the calculation is not run completely. I have attached log and error.  
In this screenshot, is this problem due to abinit or intel or something else?

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<div class="post-metadata">

**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 10, 2023, 1:33pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/6 "2023-07-10T13:33:30Z")

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Hi Vinod,

It is difficult to tell where and why the calculations breaks down in segmentation fault errors.  
But one can trace it back in several ways.  
In your case the easiest would be to add prtvol 11 flag inside the input file. This will print a lot more info in your log/abo.

One observation: I noticed you run inside a conda environment. Do you compile abinit inside the conda environment? Otherwise, can you try to run the calculation outside the conda environment and check if you get the same breakdown?  
Let me know!  
Bogdan

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 10, 2023, 3:11pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/7 "2023-07-10T15:11:33Z")

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Hello Sir,  
I have installed abinit without using conda package. Yes, the segmentation fault errors are still same after running the calculation at outside of conda environment.  
But I don’t get this error by using of prtnabla = +1, but here \_OPT file is missing.

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<div class="post-metadata">

**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 11, 2023, 11:12am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/8 "2023-07-11T11:12:44Z")

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Hi Vinod,

1. Can you try to run on one processor with a minimum set of requirements (low ecut, low kpt)?
2. Did you try on the latest abinit release?
3. What did extra relevant info prtvol 11 added to your log file?  
Bogdan

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 11, 2023, 11:31am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/9 "2023-07-11T11:31:20Z")

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Hello Sir,

1. Yes, I have used only single processor during the calculation.
2. Yes, abinit-9.10.1
3. After adding prtvol 11, the DEN file or some extra information is printed at the log file, you can see in the attached input and log file.  
[gaas.abi](https://discourse.abinit.org/uploads/short-url/k6cdKKgUJI1rYyoR35Ao5N6WHDe.abi) (802 Bytes)  
[gaas.abo](https://discourse.abinit.org/uploads/short-url/6ljLVPQSQE4G2zyo9kVR3h1so0P.abo) (47.0 KB)  
[gaas.log](https://discourse.abinit.org/uploads/short-url/kpRyGy1j96bpHgFMkWUYQSrSTKb.log) (406.8 KB)

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<div class="post-metadata">

**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 11, 2023, 11:49am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/10 "2023-07-11T11:49:44Z")

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Can you try to run one of the test files available for prtnabla?  
[https://docs.abinit.org/tests/v5/Input/t09.abi](https://docs.abinit.org/tests/v5/Input/t09.abi)  
Here you need to change prtnabla from 2 to -2 to obtain the \_OPT file.  
Do you get the same behaviour?

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 11, 2023, 6:55pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/11 "2023-07-11T18:55:36Z")

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Yes, the error is still same for -2 option.

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<div class="post-metadata">

**Author:** ![bguster](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/b/ac8455/32.png) [@bguster](https://discourse.abinit.org/u/bguster)\
**Post date:** [July 11, 2023, 11:57pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/12 "2023-07-11T23:57:32Z")

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OK then the problem might be with your compilation because the test files work fine for me with either positive or negative values of prtnabla.  
Can you run the testsuite in your build directory, as in:

cd path\_to\_abinit/build/tests/  
…/…/tests/runtest.py

and check the results?

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 12, 2023, 5:53am UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/13 "2023-07-12T05:53:55Z")

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[config.log](https://discourse.abinit.org/uploads/short-url/f1xXAQmuNuhqzgRbBFJkHE9sdmE.log) (266.5 KB)  
[n199.ac](https://discourse.abinit.org/uploads/short-url/x9hFVraaVI6MOIKu7dWVTBD5UCY.ac) (1.6 KB)

 ![test_abinit](https://discourse.abinit.org/uploads/default/original/1X/943691c662db0a459fd21d88f43a420671895deb.png)

runtest.py is not run properly. But I have not received any error during the installation. Can you check my config.log (or my .ac file) file of build folder, which is attached here with the error coming during the runtest.

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<div class="post-metadata">

**Author:** ![vinod](https://discourse.abinit.org/user_avatar/discourse.abinit.org/vinod/32/399_2.png) [@vinod](https://discourse.abinit.org/u/vinod)\
**Post date:** [July 13, 2023, 7:38pm UTC](https://discourse.abinit.org/t/opt-file-is-not-generated-for-conducti/3370/14 "2023-07-13T19:38:01Z")

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Hello Dr. Bogdan,  
when I run the **make install** command after make -j4, then I am getting error like this…

make[3]: \*\*\* [Makefile:4428: install-binPROGRAMS] Error 1  
make[3]: Leaving directory ‘/home/vinod/programs/abinit-9.10.1/build/src/98\_main’  
make[2]: \*\*\* [Makefile:4806: install-am] Error 2  
make[2]: Leaving directory ‘/home/vinod/programs/abinit-9.10.1/build/src/98\_main’  
make[1]: \*\*\* [Makefile:1237: install-recursive] Error 1  
make[1]: Leaving directory ‘/home/vinod/programs/abinit-9.10.1/build/src’  
make: \*\*\* [Makefile:1455: install-recursive] Error 1

Can you tell me about this?