Problem compiling instanton.F

[GingerF]

Dear professor,
I am a beginner of VASP. I tried to compile VTST-182 with VASP 5.4.4. However, I run into a problem during the compilation of instanton.F file. I got the error below:

mpiifort -free -names lowercase -assume byterecl -w -O2 -xHOST -I/opt/intel/compilers_and_libraries_2019.1.144/linux/mkl/include/fftw -c instanton.f90
instanton.F(57): error #6580: Name in only-list does not exist or is not accessible. [RANE]
USE random_seeded, ONLY: RANE
-------------------------------^
instanton.F(208): error #6580: Name in only-list does not exist or is not accessible. [RANE]
USE random_seeded, ONLY: RANE
-------------------------------^
instanton.F(433): error #6404: This name does not have a type, and must have an explicit type. [RANE]
w(i,j,im)=rane()-0.5_q
----------------------------^
compilation aborted for instanton.f90 (code 1)
make[2]: *** [instanton.o] Error 1
make[2]: Leaving directory `/root/chem/vasp.5.4.4/build/std'
cp: cannot stat ‘vasp’: No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/root/chem/vasp.5.4.4/build/std'
make: *** [std] Error 2

FYI, I am using centOS 8 stream with Intel_Parallel_Studio_XE.

Could you please help me with this problem?

Thank you!

GingerF

[graeme]

For version of vasp < 6, I have the vtstcode in subdirectories. In your case with vasp 5.4.4, use the files in the vtstcode5 subdirectory.

[GingerF]

Hi graeme,

Thank you very much for your prompt response!

I successfully compiled the VTST using the files in the vtstcode5 subdirectory and it worked nicely.

Thanks again!

Best regards,

GingerF

[graeme]

fantastic!

[jinzhehan]

graeme wrote:
> For version of vasp < 6, I have the vtstcode in subdirectories. In your
> case with vasp 5.4.4, use the files in the vtstcode5 subdirectory.

when I encouter the same error, Should I use the patch file under the vtstcode5 subdirectory too ?
I mean "patch -p0 < vasp-5.4.4-mpmd.patch"

[graeme]

If you are just trying to compile the vtstcode into your version of vasp, you do not need a patch. Instead, you just need to copy the vtstcode files into your vasp source directory and then modify the .objects file as described here: https://theory.cm.utexas.edu/vtsttools/ ... ation.html

If you are using vasp.6.x, use the source files in the main vtstcode directory. If you have vasp<6, choose the appropriate subdirectory to get the source files.

[jinzhehan]

Thank you for your response, graeme. have a nice day. ^_^

[riyazpu]

Hi
I recently build the VTST with VASP 6.3.0, and try an NEB calculation with IOPT = 1, IBRION = 3 and POTIM = 0. But it is not prompting the VTST optimizer IOPT=1 , rather it just uses the vasp inbuilt IBRION =3 with no update in the ionic step as POTIM =0. So how can i confirm that VTSTtool was built properly in VASP though there was no error during the compilation?
Thank you
Regrads
Riyaz

[riyazpu]

One more thing, I could not do this change as it give me an error in the compilation. so I built the VTST without this modification.

CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
LATT_CUR%A,LATT_CUR%B,IO%IU6)
with

CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
TSIF,LATT_CUR%A,LATT_CUR%B,IO%IU6)

[graeme]

It looks to me as if you don't have our vtstcode copied to your source code directory. The change in main.F will correspond to a change in the CHAIN_FORCE call in our chain.F file. Following the directions here, https://theory.cm.utexas.edu/vtsttools/ ... ation.html , you need to copy our vtst code into the source directory, modify the object list, make the small change to main.F and then you should be good to go.

[riyazpu]

thank you for the reply, yes the VTST tool was not compiled correctly and the change in main.F was giving an error. So what I did was compiled again by changing the main.F file, but this time I run the 'make veryclean' command before compilation and the compilation was completed smoothly.

[alphayash]

graeme wrote:
> It looks to me as if you don't have our vtstcode copied to your source code
> directory. The change in main.F will correspond to a change in the https://vidmateapp.win
> CHAIN_FORCE call in our chain.F file. Following the directions here,
> https://theory.cm.utexas.edu/vtsttools/ ... ation.html , you need to copy
> our vtst code into the source directory, modify the object list, make the
> small change to main.F and then you should be good to go.

Thanks for the link, I am finally able to vtst code properly. It helped safe a lot of time

[guedessobrinho]

graeme wrote:
> For version of vasp < 6, I have the vtstcode in subdirectories. In your
> case with vasp 5.4.4, use the files in the vtstcode5 subdirectory.

Thank you for your usefull response.
I got the same problem and after reading your reply I successfully compiled the VTST using the files in the vtstcode5.