Task 38686433
| Name | test_906-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9325_0 |
| Workunit | 31627865 |
| Created | 28 Oct 2026, 2:28:29 UTC |
| Sent | 28 Oct 2026, 2:28:39 UTC |
| Report deadline | 2 Nov 2026, 2:28:39 UTC |
| Received | 28 Oct 2026, 4:09:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590887 |
| Run time | 38 min 15 sec |
| CPU time | 34 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,977.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.30 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.77 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:33:02 (87416): wrapper (7.9.26016): starting
22:33:02 (87416): 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
22:33:05 (87416): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:33:05 (87416): 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 'E:\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 'E:\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
23:09:11 (87416): C:/Windows/system32/cmd.exe exited; CPU time 2044.546875
23:09:11 (87416): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 35173511 bytes.
Dumping objects ->
{3835286} normal block at 0x0000019AE1C148E0, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000019AE1C14640, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x0000019AE1C14C60, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835253} normal block at 0x0000019ADFF35ED0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000019ADFF35E60, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835211} normal block at 0x0000019AE1B8BCF0, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x0000019ADFF8ED90, 141 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) : {3835197} normal block at 0x0000019ADFF2E8D0, 8 bytes long.
Data: < Hàš > 00 00 48 E0 9A 01 00 00
{3834570} normal block at 0x0000019ADFF8E570, 141 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 0x0000019ADFF2EA10, 8 bytes long.
Data: <ÀÄõßš > C0 C4 F5 DF 9A 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019ADFF32940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019ADFF27330, 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 0x0000019ADFF36CE0, 16 bytes long.
Data: <Øyóßš > D8 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019ADFF36C40, 16 bytes long.
Data: <°yóßš > B0 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019ADFF30930, 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 0x0000019ADFF36BF0, 16 bytes long.
Data: < yóßš > 88 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019ADFF36A10, 16 bytes long.
Data: <`yóßš > 60 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019ADFF369C0, 16 bytes long.
Data: <8yóßš > 38 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019ADFF36920, 16 bytes long.
Data: < yóßš > 10 79 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019ADFF36020, 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 0x0000019ADFF368D0, 16 bytes long.
Data: < óßš > 18 03 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019ADFF30FF0, 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 0x0000019ADFF37500, 16 bytes long.
Data: <ð óßš > F0 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019ADFF370F0, 16 bytes long.
Data: <È óßš > C8 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019ADFF36C90, 16 bytes long.
Data: <  óßš > A0 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019ADFF36830, 16 bytes long.
Data: <x óßš > 78 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019ADFF36DD0, 16 bytes long.
Data: <P óßš > 50 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019ADFF37550, 16 bytes long.
Data: <( óßš > 28 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019ADFF30C30, 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 0x0000019ADFF366F0, 16 bytes long.
Data: < óßš > 00 02 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019ADFF30200, 320 bytes long.
Data: <ðfóßš 0 óßš > F0 66 F3 DF 9A 01 00 00 30 0C F3 DF 9A 01 00 00
{276} normal block at 0x0000019ADFF37640, 16 bytes long.
Data: <ðxóßš > F0 78 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019ADFF36B00, 16 bytes long.
Data: <Èxóßš > C8 78 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019ADFF312F0, 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 0x0000019ADFF370A0, 16 bytes long.
Data: < xóßš > A0 78 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019ADFF310B0, 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 0x0000019ADFF37050, 16 bytes long.
Data: <èwóßš > E8 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019ADFF36B50, 16 bytes long.
Data: <Àwóßš > C0 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019ADFF375F0, 16 bytes long.
Data: < wóßš > 98 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019ADFF36BA0, 16 bytes long.
Data: <pwóßš > 70 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019ADFF374B0, 16 bytes long.
Data: <Hwóßš > 48 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019ADFF36880, 16 bytes long.
Data: < wóßš > 20 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019ADFF36970, 16 bytes long.
Data: < aóßš > 00 61 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019ADFF36100, 40 bytes long.
Data: <pióßš ð¼¸áš > 70 69 F3 DF 9A 01 00 00 F0 BC B8 E1 9A 01 00 00
{262} normal block at 0x0000019ADFF367E0, 16 bytes long.
Data: < wóßš > 00 77 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019ADFF375A0, 16 bytes long.
Data: <Øvóßš > D8 76 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019ADFF30630, 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 0x0000019ADFF37460, 16 bytes long.
Data: <°vóßš > B0 76 F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019ADFF376B0, 992 bytes long.
Data: <`tóßš 0 óßš > 60 74 F3 DF 9A 01 00 00 30 06 F3 DF 9A 01 00 00
{94} normal block at 0x0000019ADFF31230, 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 0x0000019ADFF2E2E0, 16 bytes long.
Data: <°_óßš > B0 5F F3 DF 9A 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000019ADFF35FB0, 40 bytes long.
Data: <àâòßš 0 óßš > E0 E2 F2 DF 9A 01 00 00 30 12 F3 DF 9A 01 00 00
{71} normal block at 0x0000019ADFF2E290, 16 bytes long.
Data: < ê›Øö > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019ADFF2DFC0, 16 bytes long.
Data: <@é›Øö > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019ADFF2DF70, 16 bytes long.
Data: <øW Øö > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019ADFF2EBF0, 16 bytes long.
Data: <ØW Øö > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019ADFF2ED30, 16 bytes long.
Data: <P Øö > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019ADFF2E5B0, 16 bytes long.
Data: <0 Øö > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019ADFF2E970, 16 bytes long.
Data: <à Øö > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019ADFF2EDD0, 16 bytes long.
Data: < Øö > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019ADFF2EC90, 16 bytes long.
Data: <p Øö > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019ADFF2ED80, 16 bytes long.
Data: < À–Øö > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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