Dear All, Running the test jobs on a linux 64-bit version of molpro results in three errors:
Running test job so.test Received signal 11 Segmentation violation 0:0:termxy:: 0 Last System Error Message from Task 0:: No such file or directory 0: ARMCI aborting 0 (0). system error message: No such file or directory 1: interrupt(1) WaitAll: No children or error in wait? **** PROBLEMS WITH TEST JOB so.test so.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/so.errout **** in the directory make[1]: [so.out] Error 1 (ignored) Running test job tl_so_i.test Received signal 11 Segmentation violation 0:0:termxy:: 0 Last System Error Message from Task 0:: No such file or directory 0: ARMCI aborting 0 (0). system error message: No such file or directory 1: interrupt(1) WaitAll: No children or error in wait? **** PROBLEMS WITH TEST JOB tl_so_i.test tl_so_i.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/tl_so_i.errout **** in the directory make[1]: [tl_so_i.out] Error 1 (ignored) Running test job tlbr_mp2_dft_so.test **** PROBLEMS WITH TEST JOB tlbr_mp2_dft_so.test ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mp2-energy=2.61695732D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mp2-gradient=0.0. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ks-energy=1.90121341D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ks-gradient=0.0. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for hf-energy(spd)=1.96899919D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for gradsoala=2.37910262D-08. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for gradsocad=2.41798961D-08. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for hf-energy(spdfgh)=5.22788923D-10. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for multi-energy(singlet)=7.72195108D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for multi-energy(triplet)=5.59737146D-10. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mrci-energy=1.19584342D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ci-energy=1.66733116D-09. ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for esplit=0.31717278. **** For further information, look in the output file testjobs/tlbr_mp2_dft_so.errout **** in the directory make[1]: [tlbr_mp2_dft_so.out] Error 1 (ignored) The common factor appears to be the so in the calculation. Any ideas? My system details: #uname -a Linux marvin.chem.le.ac.uk 2.4.21-20.EL #1 Sat Sep 18 18:37:36 PDT 2004 x86_64 x86_64 x86_64 GNU/Linux #pgf90 -V test.F pgf90 5.2-4 Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved. Copyright 2000-2004, STMicroelectronics, Inc. All Rights Reserved. PGF90/any Linux/x86-64 5.2-4 Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved. Copyright 2000-2004, STMicroelectronics, Inc. All Rights Reserved. PGF90-F-0002-Unable to open source input file: test.F PGF90/any Linux/x86-64 5.2-4: compilation aborted GA toolkit 3.3.1 compiled as per instructions on http://www.molpro.net/supported/opteron.php BLAS is Linux_HAMMER64SSE2_2 with updated LAPACK compiled using g77 Martyn ---------------------------------------------- Dr. Martyn D. Wheeler Department of Chemistry University of Leicester University Road Leicester, LE1 7RH, UK. Tel (office): +44 (0)116 252 3985 Tel (lab): +44 (0)116 252 2115 Fax: +44 (0)116 252 3789 Email: [EMAIL PROTECTED] http://www.le.ac.uk/chemistry/staff/mdw10.html
