Task 38669879
| Name | test_291-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9472_0 |
| Workunit | 31612177 |
| Created | 25 Oct 2026, 15:49:45 UTC |
| Sent | 25 Oct 2026, 15:49:48 UTC |
| Report deadline | 30 Oct 2026, 15:49:48 UTC |
| Received | 25 Oct 2026, 17:01:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 549972 |
| Run time | 55 min 28 sec |
| CPU time | 51 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,466.33 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.01 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 4.08 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:08:17 (7284): wrapper (7.9.26016): starting
09:08:17 (7284): 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
09:08:20 (7284): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:08:20 (7284): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
10:00:53 (7284): C:/Windows/system32/cmd.exe exited; CPU time 3105.937500
10:00:53 (7284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36173873 bytes.
Dumping objects ->
{3835225} normal block at 0x000002073C854C20, 64 bytes long.
Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49
{3835214} normal block at 0x000002073AC80CC0, 48 bytes long.
Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49
{3835203} normal block at 0x000002073AC80A90, 48 bytes long.
Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E
{3835192} normal block at 0x000002073AC80BE0, 48 bytes long.
Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49
{3835181} normal block at 0x000002073AC80A20, 48 bytes long.
Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42
{3835150} normal block at 0x000002073C8539A0, 64 bytes long.
Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49
{3835139} normal block at 0x000002073AC6C680, 160 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) : {3835136} normal block at 0x000002073AC77840, 8 bytes long.
Data: < Ä: > 00 00 C4 3A 07 02 00 00
{3834541} normal block at 0x000002073AC6C920, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002073AC78010, 8 bytes long.
Data: <p2Ž< > 70 32 8E 3C 07 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002073AC81230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002073AC82180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002073AC82460, 16 bytes long.
Data: <(KÈ: > 28 4B C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002073AC82FF0, 16 bytes long.
Data: < KÈ: > 00 4B C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002073AC7DEB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002073AC82870, 16 bytes long.
Data: <ØJÈ: > D8 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002073AC82410, 16 bytes long.
Data: <°JÈ: > B0 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002073AC82B90, 16 bytes long.
Data: < JÈ: > 88 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002073AC82AF0, 16 bytes long.
Data: <`JÈ: > 60 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002073AC80B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002073AC82B40, 16 bytes long.
Data: < !È: > 18 21 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002073AC7DC10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002073AC82BE0, 16 bytes long.
Data: <ð È: > F0 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002073AC82EB0, 16 bytes long.
Data: <È È: > C8 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002073AC82D20, 16 bytes long.
Data: <  È: > A0 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002073AC82320, 16 bytes long.
Data: <x È: > 78 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002073AC82730, 16 bytes long.
Data: <P È: > 50 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002073AC82820, 16 bytes long.
Data: <( È: > 28 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002073AC7E390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002073AC82FA0, 16 bytes long.
Data: < È: > 00 20 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002073AC82000, 320 bytes long.
Data: < /È: ãÇ: > A0 2F C8 3A 07 02 00 00 90 E3 C7 3A 07 02 00 00
{273} normal block at 0x000002073AC82D70, 16 bytes long.
Data: <@JÈ: > 40 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002073AC829B0, 16 bytes long.
Data: < JÈ: > 18 4A C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002073AC7D970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002073AC831D0, 16 bytes long.
Data: <ðIÈ: > F0 49 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002073AC7DBB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002073AC822D0, 16 bytes long.
Data: <8IÈ: > 38 49 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002073AC82960, 16 bytes long.
Data: < IÈ: > 10 49 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002073AC82AA0, 16 bytes long.
Data: <èHÈ: > E8 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002073AC82F00, 16 bytes long.
Data: <ÀHÈ: > C0 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002073AC82CD0, 16 bytes long.
Data: < HÈ: > 98 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002073AC82A00, 16 bytes long.
Data: <pHÈ: > 70 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002073AC82780, 16 bytes long.
Data: <p È: > 70 0B C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002073AC80B70, 40 bytes long.
Data: < 'È:  9…< > 80 27 C8 3A 07 02 00 00 A0 39 85 3C 07 02 00 00
{259} normal block at 0x000002073AC83090, 16 bytes long.
Data: <PHÈ: > 50 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002073AC82550, 16 bytes long.
Data: <(HÈ: > 28 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002073AC7E750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002073AC82280, 16 bytes long.
Data: < HÈ: > 00 48 C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002073AC84800, 992 bytes long.
Data: < "È: PçÇ: > 80 22 C8 3A 07 02 00 00 50 E7 C7 3A 07 02 00 00
{91} normal block at 0x000002073AC7E570, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002073AC77930, 16 bytes long.
Data: <  È: > A0 0D C8 3A 07 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002073AC80DA0, 40 bytes long.
Data: <0yÇ: påÇ: > 30 79 C7 3A 07 02 00 00 70 E5 C7 3A 07 02 00 00
{68} normal block at 0x000002073AC773E0, 16 bytes long.
Data: < êýu÷ > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002073AC777A0, 16 bytes long.
Data: <@éýu÷ > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002073AC77ED0, 16 bytes long.
Data: <øWúu÷ > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002073AC77890, 16 bytes long.
Data: <ØWúu÷ > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002073AC77A70, 16 bytes long.
Data: <P úu÷ > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002073AC77E80, 16 bytes long.
Data: <0 úu÷ > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002073AC776B0, 16 bytes long.
Data: <à úu÷ > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002073AC77700, 16 bytes long.
Data: < úu÷ > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002073AC775C0, 16 bytes long.
Data: <p úu÷ > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002073AC77610, 16 bytes long.
Data: < Àøu÷ > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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