Task 38676491
| Name | test_498-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3850_0 |
| Workunit | 31618399 |
| Created | 26 Oct 2026, 11:27:56 UTC |
| Sent | 26 Oct 2026, 11:27:57 UTC |
| Report deadline | 31 Oct 2026, 11:27:57 UTC |
| Received | 26 Oct 2026, 12:33:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 527233 |
| Run time | 1 hours 4 min 26 sec |
| CPU time | 1 hours 0 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 688.82 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:29:04 (10976): wrapper (7.9.26016): starting
07:29:04 (10976): 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
07:29:05 (10976): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:29:05 (10976): 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\13\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\13\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: Exiting with failure status due to previous errors
08:32:30 (10976): C:/Windows/system32/cmd.exe exited; CPU time 3641.937500
08:32:30 (10976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 48205615 bytes.
Dumping objects ->
{3835219} normal block at 0x00000131A28CAB10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x00000131A28CB440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x00000131A28CAE20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x00000131A28CB6E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000131A0D8BAA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x00000131A286D2E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x00000131A28CF860, 102 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) : {3835130} normal block at 0x00000131A0D86B60, 8 bytes long.
Data: < h¢1 > 00 00 68 A2 31 01 00 00
{3834526} normal block at 0x00000131A28CF020, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000131A0D86890, 8 bytes long.
Data: <@J|¢1 > 40 4A 7C A2 31 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000131A0D91EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000131A0D92F70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000131A0D93A70, 16 bytes long.
Data: < YÙ 1 > 18 59 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000131A0D93D90, 16 bytes long.
Data: <ðXÙ 1 > F0 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000131A0D8CBE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000131A0D93980, 16 bytes long.
Data: <ÈXÙ 1 > C8 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000131A0D93930, 16 bytes long.
Data: < XÙ 1 > A0 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000131A0D938E0, 16 bytes long.
Data: <xXÙ 1 > 78 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000131A0D93890, 16 bytes long.
Data: <PXÙ 1 > 50 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000131A0D8B8E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000131A0D93160, 16 bytes long.
Data: < /Ù 1 > 08 2F D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000131A0D8D480, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000131A0D93840, 16 bytes long.
Data: <à.Ù 1 > E0 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000131A0D93110, 16 bytes long.
Data: <¸.Ù 1 > B8 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000131A0D93750, 16 bytes long.
Data: < .Ù 1 > 90 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000131A0D936B0, 16 bytes long.
Data: <h.Ù 1 > 68 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000131A0D93E30, 16 bytes long.
Data: <@.Ù 1 > 40 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000131A0D93660, 16 bytes long.
Data: < .Ù 1 > 18 2E D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000131A0D8CD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000131A0D932A0, 16 bytes long.
Data: <ð-Ù 1 > F0 2D D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000131A0D92DF0, 320 bytes long.
Data: < 2Ù 1 `ÍØ 1 > A0 32 D9 A0 31 01 00 00 60 CD D8 A0 31 01 00 00
{268} normal block at 0x00000131A0D933E0, 16 bytes long.
Data: <0XÙ 1 > 30 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000131A0D93F70, 16 bytes long.
Data: < XÙ 1 > 08 58 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000131A0D8CCA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000131A0D93DE0, 16 bytes long.
Data: <àWÙ 1 > E0 57 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000131A0D8D4E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000131A0D93BB0, 16 bytes long.
Data: <(WÙ 1 > 28 57 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000131A0D93390, 16 bytes long.
Data: < WÙ 1 > 00 57 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000131A0D93CF0, 16 bytes long.
Data: <ØVÙ 1 > D8 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000131A0D93340, 16 bytes long.
Data: <°VÙ 1 > B0 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000131A0D93D40, 16 bytes long.
Data: < VÙ 1 > 88 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000131A0D93250, 16 bytes long.
Data: <`VÙ 1 > 60 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000131A0D932F0, 16 bytes long.
Data: < ·Ø 1 > 20 B7 D8 A0 31 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000131A0D8B720, 40 bytes long.
Data: <ð2Ù 1 àÒ†¢1 > F0 32 D9 A0 31 01 00 00 E0 D2 86 A2 31 01 00 00
{254} normal block at 0x00000131A0D93610, 16 bytes long.
Data: <@VÙ 1 > 40 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000131A0D93B60, 16 bytes long.
Data: < VÙ 1 > 18 56 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000131A0D8CEE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000131A0D93A20, 16 bytes long.
Data: <ðUÙ 1 > F0 55 D9 A0 31 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000131A0D955F0, 992 bytes long.
Data: < :Ù 1 àÎØ 1 > 20 3A D9 A0 31 01 00 00 E0 CE D8 A0 31 01 00 00
{86} normal block at 0x00000131A0D8D7E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000131A0D86FC0, 16 bytes long.
Data: < »Ø 1 > 10 BB D8 A0 31 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000131A0D8BB10, 40 bytes long.
Data: <ÀoØ 1 à×Ø 1 > C0 6F D8 A0 31 01 00 00 E0 D7 D8 A0 31 01 00 00
{63} normal block at 0x00000131A0D86840, 16 bytes long.
Data: < ê£É÷ > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000131A0D867F0, 16 bytes long.
Data: <@é£É÷ > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000131A0D86750, 16 bytes long.
Data: <øW É÷ > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000131A0D86CA0, 16 bytes long.
Data: <ØW É÷ > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000131A0D86700, 16 bytes long.
Data: <P  É÷ > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000131A0D87330, 16 bytes long.
Data: <0  É÷ > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000131A0D872E0, 16 bytes long.
Data: <à  É÷ > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000131A0D86A70, 16 bytes long.
Data: <  É÷ > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000131A0D87380, 16 bytes long.
Data: <p  É÷ > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000131A0D87150, 16 bytes long.
Data: < ÀžÉ÷ > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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