Re: [AMBER] CPPTRAJ, Counting Per Residue Pair H-Bonding

From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Thu, 31 Mar 2022 13:23:37 -0400

Hi Dan,

I tried on my linux (OpenSuse) computer, but still have problems.

If I don’t use the amberlib flag, I get a problem with NetCDF (see attached log).
If I use the amberlib flag, I get the below error message:


  Testing C++ compiler: OK
  Testing C compiler: OK
  Testing Fortran compiler: OK
  Testing basic C++11 support: OK
  Testing system headers for C++11 support: OK
  Using blas from /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20
  Using lapack from /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20
  Using netcdf from /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20
Warning: Cannot link 'lapack' statically.
Warning: Cannot link 'blas' statically.
  Checking BZLIB: Checking for bundled Bzip2: OK
  Checking ZLIB: OK
  Checking NetCDF: Failed.
Error: NetCDF build/link failed: g++ -Wall -O3 -std=gnu++11 -I/run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20/include -o testp testp.cpp /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20/lib/libnetcdf.a
Error: Error message follows:
Error: /usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20/lib/libnetcdf.a(dhttp.c.o): in function `headersoff':
dhttp.c:(.text.headersoff+0xf): undefined reference to `curl_easy_setopt'
/usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: dhttp.c:(.text.headersoff+0x22): undefined reference to `curl_easy_setopt'
/usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20/lib/libnetcdf.a(dhttp.c.o): in function `setupconn':
dhttp.c:(.text.setupconn+0x1d): undefined reference to `curl_easy_setopt'
/usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: dhttp.c:(.text.setupconn+0x3a): undefined reference to `curl_easy_setopt'
/usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: dhttp.c:(.text.setupconn+0x57): undefined reference to `curl_easy_setopt'
/usr/lib64/gcc/x86_64-suse-linux/7/../../../../x86_64-suse-linux/bin/ld: /run/media/mattgpcoolchem/Elements/anaconda3/envs/AmberTools20/lib/libnetcdf.a(dhttp.c.o):dhttp.c:(.text.setupconn+0x72): more undefined references to `curl_easy_setopt' follow



Best,
Matthew
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Received on Thu Mar 31 2022 - 10:30:02 PDT
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