Task 38685485
| Name | test_403-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1692_0 |
| Workunit | 31626951 |
| Created | 27 Oct 2026, 21:17:11 UTC |
| Sent | 27 Oct 2026, 21:17:14 UTC |
| Report deadline | 1 Nov 2026, 21:17:14 UTC |
| Received | 27 Oct 2026, 22:17:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 58 min 5 sec |
| CPU time | 51 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.90 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
17:18:49 (46980): wrapper (7.9.26016): starting
17:18:49 (46980): 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
17:18:50 (46980): Library/usr/bin/tar.exe exited; CPU time 0.031250
17:18:51 (46980): 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
18:16:28 (46980): C:/Windows/system32/cmd.exe exited; CPU time 3108.484375
18:16:28 (46980): 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: 82731269 bytes.
Dumping objects ->
{3835500} normal block at 0x000002798C9643A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x000002798C964560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x000002798C9644F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x000002798C964870, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x000002798C964640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x000002798E6B51F0, 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) : {3835412} normal block at 0x000002798C95EFA0, 8 bytes long.
Data: < ׌y > 00 00 D7 8C 79 02 00 00
{3833959} normal block at 0x000002798C95EE60, 8 bytes long.
Data: <`료y > 60 EB A3 8C 79 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002798C960D90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002798C956160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002798C965CF0, 16 bytes long.
Data: < b–Œy > 18 62 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002798C965CA0, 16 bytes long.
Data: <ða–Œy > F0 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002798C95F600, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002798C9654D0, 16 bytes long.
Data: <Èa–Œy > C8 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002798C965C50, 16 bytes long.
Data: < a–Œy > A0 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002798C9658E0, 16 bytes long.
Data: <xa–Œy > 78 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002798C965BB0, 16 bytes long.
Data: <Pa–Œy > 50 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002798C964330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002798C965890, 16 bytes long.
Data: <è´”Œy > E8 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002798C95F780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002798C9652F0, 16 bytes long.
Data: <À´”Œy > C0 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002798C965AC0, 16 bytes long.
Data: < ´”Œy > 98 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002798C9652A0, 16 bytes long.
Data: <p´”Œy > 70 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002798C965660, 16 bytes long.
Data: <H´”Œy > 48 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002798C965610, 16 bytes long.
Data: < ´”Œy > 20 B4 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002798C965200, 16 bytes long.
Data: <ø³”Œy > F8 B3 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002798C95F2A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002798C965840, 16 bytes long.
Data: <г”Œy > D0 B3 94 8C 79 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002798C94B3D0, 320 bytes long.
Data: <@X–Œy  ò•Œy > 40 58 96 8C 79 02 00 00 A0 F2 95 8C 79 02 00 00
{275} normal block at 0x000002798C965A20, 16 bytes long.
Data: <0a–Œy > 30 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002798C965E80, 16 bytes long.
Data: < a–Œy > 08 61 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002798C95FC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002798C965E30, 16 bytes long.
Data: <à`–Œy > E0 60 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002798C95F5A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002798C964F30, 16 bytes long.
Data: <(`–Œy > 28 60 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002798C9653E0, 16 bytes long.
Data: < `–Œy > 00 60 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002798C9659D0, 16 bytes long.
Data: <Ø_–Œy > D8 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002798C9657F0, 16 bytes long.
Data: <°_–Œy > B0 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002798C965480, 16 bytes long.
Data: < _–Œy > 88 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002798C965250, 16 bytes long.
Data: <`_–Œy > 60 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002798C965A70, 16 bytes long.
Data: <°F–Œy > B0 46 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002798C9646B0, 40 bytes long.
Data: <pZ–Œy ðQkŽy > 70 5A 96 8C 79 02 00 00 F0 51 6B 8E 79 02 00 00
{261} normal block at 0x000002798C965C00, 16 bytes long.
Data: <@_–Œy > 40 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002798C965110, 16 bytes long.
Data: < _–Œy > 18 5F 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002798C95F8A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002798C965D90, 16 bytes long.
Data: <ð^–Œy > F0 5E 96 8C 79 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002798C965EF0, 992 bytes long.
Data: < ]–Œy  ø•Œy > 90 5D 96 8C 79 02 00 00 A0 F8 95 8C 79 02 00 00
{93} normal block at 0x000002798C95FEA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002798C95E550, 16 bytes long.
Data: < 9•Œy > A0 39 95 8C 79 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002798C9539A0, 40 bytes long.
Data: <På•Œy  þ•Œy > 50 E5 95 8C 79 02 00 00 A0 FE 95 8C 79 02 00 00
{70} normal block at 0x000002798C95ED70, 16 bytes long.
Data: < êËe÷ > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002798C95E500, 16 bytes long.
Data: <@éËe÷ > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002798C95EE10, 16 bytes long.
Data: <øWÈe÷ > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002798C95EA00, 16 bytes long.
Data: <ØWÈe÷ > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002798C95E3C0, 16 bytes long.
Data: <P Èe÷ > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002798C95E7D0, 16 bytes long.
Data: <0 Èe÷ > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002798C95ED20, 16 bytes long.
Data: <à Èe÷ > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002798C95E780, 16 bytes long.
Data: < Èe÷ > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002798C95E870, 16 bytes long.
Data: <p Èe÷ > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002798C95E9B0, 16 bytes long.
Data: < ÀÆe÷ > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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