Task 38685295
| Name | test_363-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1539_0 |
| Workunit | 31626770 |
| Created | 27 Oct 2026, 20:20:55 UTC |
| Sent | 27 Oct 2026, 20:20:56 UTC |
| Report deadline | 1 Nov 2026, 20:20:56 UTC |
| Received | 27 Oct 2026, 22:22:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590887 |
| Run time | 38 min 29 sec |
| CPU time | 34 min 9 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 | 673.94 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:45:26 (79608): wrapper (7.9.26016): starting
16:45:26 (79608): 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
16:45:29 (79608): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:45:29 (79608): 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
17:21:51 (79608): C:/Windows/system32/cmd.exe exited; CPU time 2049.937500
17:21:51 (79608): 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: 35398253 bytes.
Dumping objects ->
{3835286} normal block at 0x000001CF338FD7B0, 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 0x000001CF338FE000, 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 0x000001CF338FE150, 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 0x000001CF31C55930, 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 0x000001CF31C55850, 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 0x000001CF33948EA0, 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 0x000001CF31CBB1B0, 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 0x000001CF31C4EEA0, 8 bytes long.
Data: < 2Ï > 00 00 04 32 CF 01 00 00
{3834570} normal block at 0x000001CF31CBB010, 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 0x000001CF31C4EAE0, 8 bytes long.
Data: <°ÆÇ1Ï > B0 C6 C7 31 CF 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CF31C40570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CF31C48550, 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 0x000001CF31C561B0, 16 bytes long.
Data: <XsÅ1Ï > 58 73 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CF31C56480, 16 bytes long.
Data: <0sÅ1Ï > 30 73 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CF31C512C0, 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 0x000001CF31C56D40, 16 bytes long.
Data: < sÅ1Ï > 08 73 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CF31C56CA0, 16 bytes long.
Data: <àrÅ1Ï > E0 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CF31C56CF0, 16 bytes long.
Data: <¸rÅ1Ï > B8 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CF31C56E30, 16 bytes long.
Data: < rÅ1Ï > 90 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CF31C55460, 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 0x000001CF31C567A0, 16 bytes long.
Data: <¨ Å1Ï > A8 0C C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CF31C51C20, 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 0x000001CF31C56700, 16 bytes long.
Data: < Å1Ï > 80 0C C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CF31C56390, 16 bytes long.
Data: <X Å1Ï > 58 0C C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CF31C56340, 16 bytes long.
Data: <0 Å1Ï > 30 0C C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CF31C56520, 16 bytes long.
Data: < Å1Ï > 08 0C C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CF31C56610, 16 bytes long.
Data: <à Å1Ï > E0 0B C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CF31C568E0, 16 bytes long.
Data: <¸ Å1Ï > B8 0B C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CF31C51260, 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 0x000001CF31C56AC0, 16 bytes long.
Data: < Å1Ï > 90 0B C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CF31C50B90, 320 bytes long.
Data: <ÀjÅ1Ï ` Å1Ï > C0 6A C5 31 CF 01 00 00 60 12 C5 31 CF 01 00 00
{276} normal block at 0x000001CF31C56980, 16 bytes long.
Data: <prÅ1Ï > 70 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CF31C56160, 16 bytes long.
Data: <HrÅ1Ï > 48 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CF31C51C80, 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 0x000001CF31C56200, 16 bytes long.
Data: < rÅ1Ï > 20 72 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CF31C51500, 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 0x000001CF31C56890, 16 bytes long.
Data: <hqÅ1Ï > 68 71 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CF31C56250, 16 bytes long.
Data: <@qÅ1Ï > 40 71 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CF31C56070, 16 bytes long.
Data: < qÅ1Ï > 18 71 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CF31C56A20, 16 bytes long.
Data: <ðpÅ1Ï > F0 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CF31C562F0, 16 bytes long.
Data: <ÈpÅ1Ï > C8 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CF31C56C50, 16 bytes long.
Data: < pÅ1Ï > A0 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CF31C56F20, 16 bytes long.
Data: < ZÅ1Ï > 10 5A C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CF31C55A10, 40 bytes long.
Data: < oÅ1Ï  Ž”3Ï > 20 6F C5 31 CF 01 00 00 A0 8E 94 33 CF 01 00 00
{262} normal block at 0x000001CF31C56A70, 16 bytes long.
Data: < pÅ1Ï > 80 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CF31C563E0, 16 bytes long.
Data: <XpÅ1Ï > 58 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CF31C511A0, 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 0x000001CF31C562A0, 16 bytes long.
Data: <0pÅ1Ï > 30 70 C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CF31C57030, 992 bytes long.
Data: < bÅ1Ï   Å1Ï > A0 62 C5 31 CF 01 00 00 A0 11 C5 31 CF 01 00 00
{94} normal block at 0x000001CF31C50D80, 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 0x000001CF31C4EFE0, 16 bytes long.
Data: <ðZÅ1Ï > F0 5A C5 31 CF 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001CF31C55AF0, 40 bytes long.
Data: <àïÄ1Ï Å1Ï > E0 EF C4 31 CF 01 00 00 80 0D C5 31 CF 01 00 00
{71} normal block at 0x000001CF31C4EE50, 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 0x000001CF31C4EB30, 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 0x000001CF31C4F490, 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 0x000001CF31C4E900, 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 0x000001CF31C4F300, 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 0x000001CF31C4F1C0, 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 0x000001CF31C4F350, 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 0x000001CF31C4EA90, 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 0x000001CF31C4F800, 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 0x000001CF31C4EE00, 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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