Task 38652711
| Name | test_269-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND9645_0 |
| Workunit | 31596827 |
| Created | 24 Oct 2026, 4:22:46 UTC |
| Sent | 24 Oct 2026, 4:33:39 UTC |
| Report deadline | 29 Oct 2026, 4:33:39 UTC |
| Received | 24 Oct 2026, 4:59:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616957 |
| Run time | 24 min 31 sec |
| CPU time | 23 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,295.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.77 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:34:39 (40368): wrapper (7.9.26016): starting
06:34:39 (40368): 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
06:34:40 (40368): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:34:40 (40368): 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 'C:\ProgramData\BOINC\slots\0\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\0\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
06:58:43 (40368): C:/Windows/system32/cmd.exe exited; CPU time 1396.296875
06:58:43 (40368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25962235 bytes.
Dumping objects ->
{3835266} normal block at 0x00000162A5D86080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x00000162A5D85FA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x00000162A5D86630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835233} normal block at 0x00000162A5D865C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x00000162A5D86550, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835191} normal block at 0x00000162A7A87D50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x00000162A5D7FDF0, 8 bytes long.
Data: < §b > 00 00 80 A7 62 01 00 00
{3833963} normal block at 0x00000162A5D80520, 8 bytes long.
Data: <ÀÙÖ¥b > C0 D9 D6 A5 62 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000162A5D76110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000162A5D77070, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000162A5D845A0, 16 bytes long.
Data: <è]Ø¥b > E8 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000162A5D84BE0, 16 bytes long.
Data: <À]Ø¥b > C0 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000162A5D806F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000162A5D84FA0, 16 bytes long.
Data: < ]Ø¥b > 98 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000162A5D84EB0, 16 bytes long.
Data: <p]Ø¥b > 70 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000162A5D84780, 16 bytes long.
Data: <H]Ø¥b > 48 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000162A5D84550, 16 bytes long.
Data: < ]Ø¥b > 20 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000162A5D86390, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000162A5D854A0, 16 bytes long.
Data: < —×¥b > 18 97 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000162A5D80690, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000162A5D85310, 16 bytes long.
Data: <ð–×¥b > F0 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000162A5D84C80, 16 bytes long.
Data: <È–×¥b > C8 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000162A5D84B90, 16 bytes long.
Data: < –×¥b > A0 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000162A5D852C0, 16 bytes long.
Data: <x–×¥b > 78 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000162A5D85400, 16 bytes long.
Data: <P–×¥b > 50 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000162A5D853B0, 16 bytes long.
Data: <(–×¥b > 28 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000162A5D81530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000162A5D84D70, 16 bytes long.
Data: < –×¥b > 00 96 D7 A5 62 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000162A5D79600, 320 bytes long.
Data: <pMإb 0 إb > 70 4D D8 A5 62 01 00 00 30 15 D8 A5 62 01 00 00
{277} normal block at 0x00000162A5D84960, 16 bytes long.
Data: < ]Ø¥b > 00 5D D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000162A5D84820, 16 bytes long.
Data: <Ø\Ø¥b > D8 5C D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000162A5D80630, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000162A5D84E60, 16 bytes long.
Data: <°\Ø¥b > B0 5C D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000162A5D80F30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000162A5D85450, 16 bytes long.
Data: <ø[Ø¥b > F8 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000162A5D848C0, 16 bytes long.
Data: <Ð[Ø¥b > D0 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000162A5D85180, 16 bytes long.
Data: <¨[Ø¥b > A8 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000162A5D84910, 16 bytes long.
Data: < [Ø¥b > 80 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000162A5D846E0, 16 bytes long.
Data: <X[Ø¥b > 58 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000162A5D84AF0, 16 bytes long.
Data: <0[Ø¥b > 30 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000162A5D84F50, 16 bytes long.
Data: <`ÃÖ¥b > 60 C3 D6 A5 62 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000162A5D6C360, 40 bytes long.
Data: <POØ¥b P}¨§b > 50 4F D8 A5 62 01 00 00 50 7D A8 A7 62 01 00 00
{263} normal block at 0x00000162A5D84A50, 16 bytes long.
Data: < [Ø¥b > 10 5B D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000162A5D849B0, 16 bytes long.
Data: <èZØ¥b > E8 5A D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000162A5D809F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000162A5D845F0, 16 bytes long.
Data: <ÀZØ¥b > C0 5A D8 A5 62 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000162A5D85AC0, 992 bytes long.
Data: <ðEØ¥b ð Ø¥b > F0 45 D8 A5 62 01 00 00 F0 09 D8 A5 62 01 00 00
{95} normal block at 0x00000162A5D811D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000162A5D80340, 16 bytes long.
Data: <@ÉÖ¥b > 40 C9 D6 A5 62 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000162A5D6C940, 40 bytes long.
Data: <@ إb Рإb > 40 03 D8 A5 62 01 00 00 D0 11 D8 A5 62 01 00 00
{72} normal block at 0x00000162A5D803E0, 16 bytes long.
Data: < ê\C÷ > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000162A5D7FC60, 16 bytes long.
Data: <@é\C÷ > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000162A5D7FC10, 16 bytes long.
Data: <øWYC÷ > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000162A5D80430, 16 bytes long.
Data: <ØWYC÷ > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000162A5D7FD00, 16 bytes long.
Data: <P YC÷ > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000162A5D7F8A0, 16 bytes long.
Data: <0 YC÷ > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000162A5D802F0, 16 bytes long.
Data: <à YC÷ > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000162A5D80160, 16 bytes long.
Data: < YC÷ > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000162A5D7FB20, 16 bytes long.
Data: <p YC÷ > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000162A5D7FA30, 16 bytes long.
Data: < ÀWC÷ > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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