Task 38688749
| Name | test_703-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9644_0 |
| Workunit | 31630072 |
| Created | 28 Oct 2026, 15:58:27 UTC |
| Sent | 28 Oct 2026, 15:58:29 UTC |
| Report deadline | 2 Nov 2026, 15:58:29 UTC |
| Received | 28 Oct 2026, 17:45:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 30 min 22 sec |
| CPU time | 21 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.38 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:14:11 (24804): wrapper (7.9.26016): starting
10:14:11 (24804): 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
10:14:12 (24804): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:14:12 (24804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/pyaml/
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\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 'C:\ProgramData\BOINC\slots\1\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
10:43:35 (24804): C:/Windows/system32/cmd.exe exited; CPU time 1302.125000
10:43:35 (24804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26423405 bytes.
Dumping objects ->
{3835569} normal block at 0x000002287B6EBD60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000022879A24820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x0000022879A24510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x0000022879A24270, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000022879A24580, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x000002287B7340C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x0000022879A49D20, 155 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) : {3835480} normal block at 0x0000022879A1E860, 8 bytes long.
Data: < ãy( > 00 00 E3 79 28 02 00 00
{3834699} normal block at 0x0000022879A49540, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000022879A1DF50, 8 bytes long.
Data: <`K|{( > 60 4B 7C 7B 28 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022879A20790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022879A156E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000022879A252C0, 16 bytes long.
Data: < _¢y( > 18 5F A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022879A25720, 16 bytes long.
Data: <ð^¢y( > F0 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022879A1F520, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000022879A251D0, 16 bytes long.
Data: <È^¢y( > C8 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022879A24CD0, 16 bytes long.
Data: < ^¢y( > A0 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022879A24E60, 16 bytes long.
Data: <x^¢y( > 78 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022879A24EB0, 16 bytes long.
Data: <P^¢y( > 50 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022879A24430, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000022879A259A0, 16 bytes long.
Data: <xݡy( > 78 DD A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022879A1F6A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000022879A25B80, 16 bytes long.
Data: <PÝ¡y( > 50 DD A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022879A25400, 16 bytes long.
Data: <(Ý¡y( > 28 DD A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022879A25180, 16 bytes long.
Data: < Ý¡y( > 00 DD A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022879A25900, 16 bytes long.
Data: <ØÜ¡y( > D8 DC A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022879A25130, 16 bytes long.
Data: <°Ü¡y( > B0 DC A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022879A24E10, 16 bytes long.
Data: < Ü¡y( > 88 DC A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022879A1F460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000022879A259F0, 16 bytes long.
Data: <`Ü¡y( > 60 DC A1 79 28 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022879A1DC60, 320 bytes long.
Data: <ðY¢y( `ô¡y( > F0 59 A2 79 28 02 00 00 60 F4 A1 79 28 02 00 00
{276} normal block at 0x0000022879A25270, 16 bytes long.
Data: <0^¢y( > 30 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022879A24F50, 16 bytes long.
Data: < ^¢y( > 08 5E A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022879A1FB80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000022879A254F0, 16 bytes long.
Data: <à]¢y( > E0 5D A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022879A1EEC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000022879A25090, 16 bytes long.
Data: <(]¢y( > 28 5D A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022879A25450, 16 bytes long.
Data: < ]¢y( > 00 5D A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022879A25810, 16 bytes long.
Data: <Ø\¢y( > D8 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022879A25220, 16 bytes long.
Data: <°\¢y( > B0 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022879A25040, 16 bytes long.
Data: < \¢y( > 88 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022879A25860, 16 bytes long.
Data: <`\¢y( > 60 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022879A258B0, 16 bytes long.
Data: <ðE¢y( > F0 45 A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022879A245F0, 40 bytes long.
Data: <°X¢y( À@s{( > B0 58 A2 79 28 02 00 00 C0 40 73 7B 28 02 00 00
{262} normal block at 0x0000022879A24FA0, 16 bytes long.
Data: <@\¢y( > 40 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022879A24D70, 16 bytes long.
Data: < \¢y( > 18 5C A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022879A1F640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000022879A24FF0, 16 bytes long.
Data: <ð[¢y( > F0 5B A2 79 28 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022879A25BF0, 992 bytes long.
Data: <ðO¢y( @ö¡y( > F0 4F A2 79 28 02 00 00 40 F6 A1 79 28 02 00 00
{94} normal block at 0x0000022879A1FCA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000022879A1EAE0, 16 bytes long.
Data: <°ï y( > B0 EF A0 79 28 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000022879A0EFB0, 40 bytes long.
Data: <àê¡y(  ü¡y( > E0 EA A1 79 28 02 00 00 A0 FC A1 79 28 02 00 00
{71} normal block at 0x0000022879A1EA90, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022879A1E7C0, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022879A1EC20, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022879A1E8B0, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022879A1E680, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022879A1DEB0, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022879A1E770, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022879A1EBD0, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022879A1E540, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022879A1E810, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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