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hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error below, I can't find what's wrong #43

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Eipgen opened this issue Apr 7, 2019 · 6 comments

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@Eipgen
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Eipgen commented Apr 7, 2019

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@Eipgen Eipgen changed the title hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error: hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error:forrtl: severe (59): list-directed I/O syntax error, unit 1, file /gpfs/home/zhzhang/jxiao/software/rxmd/init/input.xyz Image PC Routine Line Source geninit 000000000040B3FE Unknown Unknown Unknown geninit 000000000042A59D Unknown Unknown Unknown geninit 00000000004285FE Unknown Unknown Unknown geninit 0000000000403AEB Unknown Unknown Unknown geninit 00000000004025DE Unknown Unknown Unknown libc.so.6 00002B27DC9243D5 Unknown Unknown Unknown geninit 00000000004024E9 Unknown Unknown Unknown make: *** [geninit] Error 59 Apr 7, 2019
@Eipgen Eipgen changed the title hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error:forrtl: severe (59): list-directed I/O syntax error, unit 1, file /gpfs/home/zhzhang/jxiao/software/rxmd/init/input.xyz Image PC Routine Line Source geninit 000000000040B3FE Unknown Unknown Unknown geninit 000000000042A59D Unknown Unknown Unknown geninit 00000000004285FE Unknown Unknown Unknown geninit 0000000000403AEB Unknown Unknown Unknown geninit 00000000004025DE Unknown Unknown Unknown libc.so.6 00002B27DC9243D5 Unknown Unknown Unknown geninit 00000000004024E9 Unknown Unknown Unknown make: *** [geninit] Error 59 hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error: Apr 7, 2019
@Eipgen
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Eipgen commented Apr 7, 2019

**forrtl: severe (59): list-directed I/O syntax error, unit 1, file /gpfs/home/zhzhang/jxiao/software/rxmd/init/input.xyz
Image PC Routine Line Source
geninit 000000000040B3FE Unknown Unknown Unknown
geninit 000000000042A59D Unknown Unknown Unknown
geninit 00000000004285FE Unknown Unknown Unknown
geninit 0000000000403AEB Unknown Unknown Unknown
geninit 00000000004025DE Unknown Unknown Unknown
libc.so.6 00002B27DC9243D5 Unknown Unknown Unknown
geninit 00000000004024E9 Unknown Unknown Unknown
make: *** [geninit] Error 59
**_

@Eipgen Eipgen changed the title hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error: hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error below: Apr 7, 2019
@Eipgen Eipgen changed the title hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error below: hello ,I have made a xyz file like yours, but when I build the geometry following your manual, I have this error below, I can't find what's wrong Apr 7, 2019
@Eipgen
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Eipgen commented Apr 7, 2019

8000
82.4000 82.4000 82.4000 90.000 90.000 90.000
C 0.417584951 0.048143204 0.232827670
C 0.405133495 0.059720874 0.225279126
C 0.407111650 0.060546117 0.206808252
C 0.394004854 0.071383495 0.199271845
H 0.416152913 0.035873786 0.227415049
H 0.430036408 0.052584951 0.230109223
H 0.392682039 0.055497573 0.228264563
H 0.406783981 0.072075243 0.230473301
H 0.419332524 0.065485437 0.203883495

this is part of my xyz file

@sctiwari
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sctiwari commented Apr 7, 2019

Please add any comment next to total number of atom. Currently, it is required as part of the input file

@Eipgen Eipgen closed this as completed Apr 7, 2019
@Eipgen
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Eipgen commented Apr 8, 2019

aha,wow. thank you very much,I can 't find it without yourhelp

@Eipgen
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Eipgen commented Apr 15, 2019

could you tell me how do you build the xyz file,? I often build it from material studio, but sometimes when I run it in 100 steps. It just give me the information below , and no other output information
The output (if any) follows:
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@Eipgen Eipgen reopened this Apr 15, 2019
@sctiwari
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sctiwari commented May 7, 2019

Please attach your initial system to debug. It is impossible to look at just system error and debug.

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