Task 38682261
| Name | test_23-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6556_0 |
| Workunit | 31623885 |
| Created | 27 Oct 2026, 7:10:19 UTC |
| Sent | 27 Oct 2026, 7:10:24 UTC |
| Report deadline | 1 Nov 2026, 7:10:24 UTC |
| Received | 27 Oct 2026, 9:06:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 588349 |
| Run time | 29 min 51 sec |
| CPU time | 27 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,424.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.38 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:35:50 (87188): wrapper (7.9.26016): starting
04:35:50 (87188): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
04:35:51 (87188): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:35:51 (87188): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\11\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\11\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
05:05:41 (87188): C:/Windows/system32/cmd.exe exited; CPU time 1651.406250
05:05:41 (87188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
732 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 45833055 bytes.
Dumping objects ->
{3835302} normal block at 0x000001B11290EDE0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x000001B110CB6AC0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835280} normal block at 0x000001B110CB6A50, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835269} normal block at 0x000001B110CB69E0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x000001B110CB6970, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835227} normal block at 0x000001B11295C800, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x000001B112970400, 238 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835213} normal block at 0x000001B110CAF090, 8 bytes long.
Data: < ± > 00 00 0E 11 B1 01 00 00
{3834593} normal block at 0x000001B11296DB80, 238 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x000001B110CAEF50, 8 bytes long.
Data: <ÀÆ– ± > C0 C6 96 12 B1 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001B110CB2FE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B110CA7AA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001B110CB7BD0, 16 bytes long.
Data: <X…Ë ± > 58 85 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B110CB7540, 16 bytes long.
Data: <0…Ë ± > 30 85 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B110CB2810, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001B110CB7E00, 16 bytes long.
Data: < …Ë ± > 08 85 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B110CB8080, 16 bytes long.
Data: <à„Ë ± > E0 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B110CB7B80, 16 bytes long.
Data: <¸„Ë ± > B8 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B110CB75E0, 16 bytes long.
Data: < „Ë ± > 90 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B110CB6890, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001B110CB7B30, 16 bytes long.
Data: <¸ Ê ± > B8 0E CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B110CB2B10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001B110CB7AE0, 16 bytes long.
Data: < Ê ± > 90 0E CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B110CB7A90, 16 bytes long.
Data: <h Ê ± > 68 0E CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B110CB73B0, 16 bytes long.
Data: <@ Ê ± > 40 0E CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B110CB76D0, 16 bytes long.
Data: < Ê ± > 18 0E CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B110CB7810, 16 bytes long.
Data: <ð Ê ± > F0 0D CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B110CB7680, 16 bytes long.
Data: <È Ê ± > C8 0D CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B110CB1D90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001B110CB7DB0, 16 bytes long.
Data: <  Ê ± > A0 0D CA 10 B1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B110CA0DA0, 320 bytes long.
Data: <°}Ë ± Ë ± > B0 7D CB 10 B1 01 00 00 90 1D CB 10 B1 01 00 00
{281} normal block at 0x000001B110CB77C0, 16 bytes long.
Data: <p„Ë ± > 70 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B110CB7720, 16 bytes long.
Data: <H„Ë ± > 48 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B110CB1F70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001B110CB7D10, 16 bytes long.
Data: < „Ë ± > 20 84 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B110CB1F10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001B110CB7900, 16 bytes long.
Data: <hƒË ± > 68 83 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B110CB7CC0, 16 bytes long.
Data: <@ƒË ± > 40 83 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B110CB81C0, 16 bytes long.
Data: < ƒË ± > 18 83 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B110CB78B0, 16 bytes long.
Data: <ð‚Ë ± > F0 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B110CB7860, 16 bytes long.
Data: <È‚Ë ± > C8 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B110CB7270, 16 bytes long.
Data: < ‚Ë ± > A0 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B110CB7A40, 16 bytes long.
Data: < lË ± > 10 6C CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B110CB6C10, 40 bytes long.
Data: <@zË ± È• ± > 40 7A CB 10 B1 01 00 00 00 C8 95 12 B1 01 00 00
{267} normal block at 0x000001B110CB7770, 16 bytes long.
Data: < ‚Ë ± > 80 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B110CB79F0, 16 bytes long.
Data: <X‚Ë ± > 58 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B110CB2A50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001B110CB79A0, 16 bytes long.
Data: <0‚Ë ± > 30 82 CB 10 B1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B110CB8230, 992 bytes long.
Data: < yË ± P*Ë ± > A0 79 CB 10 B1 01 00 00 50 2A CB 10 B1 01 00 00
{99} normal block at 0x000001B110CB27B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001B110CAF270, 16 bytes long.
Data: < õÉ ± > 20 F5 C9 10 B1 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001B110C9F520, 40 bytes long.
Data: <pòÊ ± °'Ë ± > 70 F2 CA 10 B1 01 00 00 B0 27 CB 10 B1 01 00 00
{76} normal block at 0x000001B110CAED70, 16 bytes long.
Data: < êPŽö > 80 EA 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B110CAECD0, 16 bytes long.
Data: <@éPŽö > 40 E9 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B110CAE9B0, 16 bytes long.
Data: <øWMŽö > F8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B110CAEAF0, 16 bytes long.
Data: <ØWMŽö > D8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B110CAEE60, 16 bytes long.
Data: <P MŽö > 50 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B110CAE8C0, 16 bytes long.
Data: <0 MŽö > 30 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B110CAEEB0, 16 bytes long.
Data: <à MŽö > E0 02 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B110CAE820, 16 bytes long.
Data: < MŽö > 10 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B110CAEA00, 16 bytes long.
Data: <p MŽö > 70 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B110CAF540, 16 bytes long.
Data: < ÀKŽö > 18 C0 4B 8E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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