If you have problems during the execution of MRCC, please attach the output with an adequate description of your case as well as the followings:

the way mrcc was invoked
the way build.mrcc was invoked
the output of build.mrcc
compiler version (for example: ifort -V, gfortran -v)
blas/lapack versions
as well as gcc and glibc versions

This information really helps us during troubleshooting

Molpro w/ MRCC: KEYWD errror

zhouchaoqun0314
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1 year 5 months ago #1271 by zhouchaoqun0314

Replied by zhouchaoqun0314 on topic Molpro w/ MRCC: KEYWD errror

You can download the recently proposed dmrcc file and replace the previous one of the 2022 version. I test the molpro h2o_mrcc.inp file and it worked well.

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thda0531
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6 months 1 week ago #1405 by thda0531

Replied by thda0531 on topic Molpro w/ MRCC: KEYWD errror

Hi,

I ran into the same error again, using MOLPRO2022 with the last two versions of MRCC (2022-03-18 and 2023-08-28) as binary and self-compiled version.

forrtl: No such file or directory
forrtl: severe (29): file not found, unit 75, file /scratch/user/203300/molpro.UhNulDdsc6/mrcc_8799264941/KEYWD

Any hint is appreciated,
thank you in advance

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kallay
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Mihaly Kallay

6 months 1 week ago #1406 by kallay

Replied by kallay on topic Molpro w/ MRCC: KEYWD errror

Please download the patches.

Best regards,
Mihaly Kallay

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thda0531
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6 months 1 week ago #1407 by thda0531

Replied by thda0531 on topic Molpro w/ MRCC: KEYWD errror

I'm sorry, I thought your former advice was only valid for the older MRCC-versions.
Now, it works fine, thanks.

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