some error when I run the qmcpack

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Cheng Qian

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Mar 9, 2021, 3:05:06 PM3/9/21
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Hi everyone。 I compiled qmcpack, when I run the program, the following problems occurred:

./qmcpack: /lib64/libstdc++.so.6: version `CXXABI_1.3.8' not found (required by ./qmcpack)
./qmcpack: /lib64/libstdc++.so.6: version `CXXABI_1.3.9' not found (required by ./qmcpack)
./qmcpack: /lib64/libstdc++.so.6: version `GLIBCXX_3.4.21' not found (required by ./qmcpack)
./qmcpack: /lib64/libstdc++.so.6: version `GLIBCXX_3.4.20' not found (required by ./qmcpack)

I do not know how to solve this problem.  Could you give me some suggestions?

by the way this is the qmcpack.setting 
835801783fbc8053a14626dde4a258b.png

Paul R. C. Kent

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Mar 9, 2021, 3:19:56 PM3/9/21
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When errors like this occur, it means that something is different in your environment from when you compiled QMCPACK. e.g. A module is not loaded, LD_LIBRARY_PATH is different, a shell startup script was not sourced etc.. These are the most common issues. Since a QMCPACK executable (bin/qmcpack) was successfully built (good news), the libraries were available at one time. One additional possibility that can happen on supercomputers is that the libraries linked against are not available on the compute nodes - in which case there should be a recipe advertised by the sysadmins on how to avoid the problem. I suggest you consider how QMCPACK was built and make sure that the same compilers and libraries are available. e.g. source the Intel compilers script before running QMCPACK, ensure that the same GCC is available etc.

Good luck

-- Paul

Cheng Qian

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Mar 11, 2021, 4:01:44 AM3/11/21
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Thank you for your reply, and I can run qmcpack now. but another error occurred. this is about hdf5.  

Did I make errors when compiling hdf5?  hope for your reply

f627b20ea79ae2b16bbdc07d205de93.png

Paul R. C. Kent

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Mar 11, 2021, 9:28:43 AM3/11/21
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It looks like you have a working code at this point. Considering running the tests if you have not, https://qmcpack.readthedocs.io/en/develop/installation.html#testing-and-validation-of-qmcpack

As the code reports, it can't open a file called pwscf.pwscf.h5. Either this is missing from the directory or there is some restriction that stops the code from reading it. Perhaps you did not copy a file, or perhaps there are some restrictions on where compute nodes can read data from. Check with the system admins. If you see this problem with the tests, try setting QMC_SYMLINK_TEST_FILES=0.

For problems like this it can be helpful to have your calculations working on a standard workstation as well as a supercomputer system so that you can compare differences.
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