Task 38685818
| Name | test_186-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6840_0 |
| Workunit | 31627272 |
| Created | 27 Oct 2026, 23:08:30 UTC |
| Sent | 27 Oct 2026, 23:08:33 UTC |
| Report deadline | 1 Nov 2026, 23:08:33 UTC |
| Received | 28 Oct 2026, 3:10:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550227 |
| Run time | 1 hours 33 min 17 sec |
| CPU time | 1 hours 19 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,806.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 673.08 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 4.04 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:39:02 (9212): wrapper (7.9.26016): starting
18:39:02 (9212): 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
18:39:07 (9212): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:39:07 (9212): 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\2\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\2\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
20:09:07 (9212): C:/Windows/system32/cmd.exe exited; CPU time 4768.609375
20:09:07 (9212): 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: 76905745 bytes.
Dumping objects ->
{3835221} normal block at 0x00000191E26114A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x00000191E2611200, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x00000191E2611190, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x00000191E2610E80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x00000191E26110B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x00000191E26BD910, 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) : {3835133} normal block at 0x00000191E0A98250, 8 bytes long.
Data: < £à‘ > 00 00 A3 E0 91 01 00 00
{3833949} normal block at 0x00000191E0A97AD0, 8 bytes long.
Data: <Њq①> D0 8A 71 E2 91 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000191E0AA1E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000191E0A8CF90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000191E0AA2EB0, 16 bytes long.
Data: <hPªà‘ > 68 50 AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000191E0AA2E10, 16 bytes long.
Data: <@Pªà‘ > 40 50 AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000191E0A9D040, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000191E0AA3270, 16 bytes long.
Data: < Pªà‘ > 18 50 AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000191E0AA36D0, 16 bytes long.
Data: <ðOªà‘ > F0 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000191E0AA3360, 16 bytes long.
Data: <ÈOªà‘ > C8 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000191E0AA2DC0, 16 bytes long.
Data: < Oªà‘ > A0 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000191E0A9E3D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000191E0AA3680, 16 bytes long.
Data: <øÛ¨à‘ > F8 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000191E0A9C440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000191E0AA3720, 16 bytes long.
Data: <ÐÛ¨à‘ > D0 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000191E0AA3180, 16 bytes long.
Data: <¨Û¨à‘ > A8 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000191E0AA3CC0, 16 bytes long.
Data: < Û¨à‘ > 80 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000191E0AA3130, 16 bytes long.
Data: <XÛ¨à‘ > 58 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000191E0AA3C20, 16 bytes long.
Data: <0Û¨à‘ > 30 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000191E0AA3450, 16 bytes long.
Data: < Û¨à‘ > 08 DB A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000191E0A9CE60, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{272} normal block at 0x00000191E0AA3C70, 16 bytes long.
Data: <àÚ¨à‘ > E0 DA A8 E0 91 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000191E0A8DAE0, 320 bytes long.
Data: <p<ªà‘ `Î©à‘ > 70 3C AA E0 91 01 00 00 60 CE A9 E0 91 01 00 00
{270} normal block at 0x00000191E0AA3220, 16 bytes long.
Data: < Oªà‘ > 80 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000191E0AA3630, 16 bytes long.
Data: <XOªà‘ > 58 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000191E0A9CA40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000191E0AA3590, 16 bytes long.
Data: <0Oªà‘ > 30 4F AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000191E0A9C3E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000191E0AA3B30, 16 bytes long.
Data: <xNªà‘ > 78 4E AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000191E0AA2FF0, 16 bytes long.
Data: <PNªà‘ > 50 4E AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000191E0AA3B80, 16 bytes long.
Data: <(Nªà‘ > 28 4E AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000191E0AA2E60, 16 bytes long.
Data: < Nªà‘ > 00 4E AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000191E0AA30E0, 16 bytes long.
Data: <ØMªà‘ > D8 4D AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000191E0AA3040, 16 bytes long.
Data: <°Mªà‘ > B0 4D AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000191E0AA39A0, 16 bytes long.
Data: <Àç©à‘ > C0 E7 A9 E0 91 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000191E0A9E7C0, 40 bytes long.
Data: < 9ªà‘ Ùkâ‘ > A0 39 AA E0 91 01 00 00 10 D9 6B E2 91 01 00 00
{256} normal block at 0x00000191E0AA2D70, 16 bytes long.
Data: < Mªà‘ > 90 4D AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000191E0AA3540, 16 bytes long.
Data: <hMªà‘ > 68 4D AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000191E0A9CAA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000191E0AA2F50, 16 bytes long.
Data: <@Mªà‘ > 40 4D AA E0 91 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000191E0AA4D40, 992 bytes long.
Data: <P/ªà‘  Ê©à‘ > 50 2F AA E0 91 01 00 00 A0 CA A9 E0 91 01 00 00
{88} normal block at 0x00000191E0A9D280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000191E0A98570, 16 bytes long.
Data: <ðâ©à‘ > F0 E2 A9 E0 91 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000191E0A9E2F0, 40 bytes long.
Data: <p…©à‘ Ò©à‘ > 70 85 A9 E0 91 01 00 00 80 D2 A9 E0 91 01 00 00
{65} normal block at 0x00000191E0A97990, 16 bytes long.
Data: < êQÉ÷ > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000191E0A982A0, 16 bytes long.
Data: <@éQÉ÷ > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000191E0A980C0, 16 bytes long.
Data: <øWNÉ÷ > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000191E0A97A80, 16 bytes long.
Data: <ØWNÉ÷ > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000191E0A97DA0, 16 bytes long.
Data: <P NÉ÷ > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000191E0A97940, 16 bytes long.
Data: <0 NÉ÷ > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000191E0A97800, 16 bytes long.
Data: <à NÉ÷ > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000191E0A98020, 16 bytes long.
Data: < NÉ÷ > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000191E0A977B0, 16 bytes long.
Data: <p NÉ÷ > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000191E0A98070, 16 bytes long.
Data: < ÀLÉ÷ > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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