Task 38675594
| Name | test_532-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND5048_0 |
| Workunit | 31617557 |
| Created | 26 Oct 2026, 8:44:39 UTC |
| Sent | 26 Oct 2026, 8:44:45 UTC |
| Report deadline | 31 Oct 2026, 8:44:45 UTC |
| Received | 26 Oct 2026, 16:28:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 3 hours 32 min 7 sec |
| CPU time | 2 hours 56 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.06 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:12:21 (5784): wrapper (7.9.26016): starting
10:12:21 (5784): 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
10:12:24 (5784): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:12:24 (5784): 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.
16:12:43 (27432): wrapper (7.9.26016): starting
16:12:44 (27432): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
17:28:28 (27432): C:/Windows/system32/cmd.exe exited; CPU time 2748.296875
17:28:28 (27432): 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: 63977002 bytes.
Dumping objects ->
{1614} normal block at 0x000001955C385400, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000001955C385550, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000001955C385320, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000001955C385390, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000001955C3854E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000001955C37E2A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x000001955C36BCC0, 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) : {1525} normal block at 0x000001955C386A70, 8 bytes long.
Data: < 4\ > 00 00 34 5C 95 01 00 00
{906} normal block at 0x000001955C36DE30, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000001955C386750, 8 bytes long.
Data: < q8\ > C0 71 38 5C 95 01 00 00
{295} normal block at 0x000001955C37C810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001955C3865C0, 16 bytes long.
Data: < `8\ > B8 60 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001955C386390, 16 bytes long.
Data: < `8\ > 90 60 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001955C37EB70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001955C387060, 16 bytes long.
Data: <h`8\ > 68 60 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001955C386A20, 16 bytes long.
Data: <@`8\ > 40 60 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001955C386570, 16 bytes long.
Data: < `8\ > 18 60 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001955C3866B0, 16 bytes long.
Data: < _8\ > F0 5F 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001955C385780, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001955C386C00, 16 bytes long.
Data: <X 6\ > 58 BC 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001955C37E5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001955C386E80, 16 bytes long.
Data: <0 6\ > 30 BC 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001955C386700, 16 bytes long.
Data: < 6\ > 08 BC 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001955C386C50, 16 bytes long.
Data: < 6\ > E0 BB 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001955C386B60, 16 bytes long.
Data: < 6\ > B8 BB 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001955C386660, 16 bytes long.
Data: < 6\ > 90 BB 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001955C3867A0, 16 bytes long.
Data: <h 6\ > 68 BB 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001955C37EC30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001955C386430, 16 bytes long.
Data: <@ 6\ > 40 BB 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001955C36BB40, 320 bytes long.
Data: <0d8\ 0 7\ > 30 64 38 5C 95 01 00 00 30 EC 37 5C 95 01 00 00
{274} normal block at 0x000001955C386CA0, 16 bytes long.
Data: < _8\ > D0 5F 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001955C3869D0, 16 bytes long.
Data: < _8\ > A8 5F 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001955C37E810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001955C386520, 16 bytes long.
Data: < _8\ > 80 5F 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001955C37E3F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001955C386610, 16 bytes long.
Data: < ^8\ > C8 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001955C386890, 16 bytes long.
Data: < ^8\ > A0 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001955C386ED0, 16 bytes long.
Data: <x^8\ > 78 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001955C386BB0, 16 bytes long.
Data: <P^8\ > 50 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001955C386840, 16 bytes long.
Data: <(^8\ > 28 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001955C37FF80, 16 bytes long.
Data: < ^8\ > 00 5E 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001955C37FDF0, 16 bytes long.
Data: < W8\ > F0 57 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001955C3857F0, 40 bytes long.
Data: < 7\ 7\ > F0 FD 37 5C 95 01 00 00 A0 E2 37 5C 95 01 00 00
{260} normal block at 0x000001955C37FA80, 16 bytes long.
Data: < ]8\ > E0 5D 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001955C37FA30, 16 bytes long.
Data: < ]8\ > B8 5D 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001955C37EC90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001955C37FBC0, 16 bytes long.
Data: < ]8\ > 90 5D 38 5C 95 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001955C385D90, 992 bytes long.
Data: < 7\ 7\ > C0 FB 37 5C 95 01 00 00 90 EC 37 5C 95 01 00 00
{92} normal block at 0x000001955C37E4B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001955C3802F0, 16 bytes long.
Data: < 6\ > A0 94 36 5C 95 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001955C3694A0, 40 bytes long.
Data: < 8\ 7\ > F0 02 38 5C 95 01 00 00 B0 E4 37 5C 95 01 00 00
{69} normal block at 0x000001955C37FFD0, 16 bytes long.
Data: < l > 80 EA 99 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001955C37F530, 16 bytes long.
Data: <@ l > 40 E9 99 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001955C37F850, 16 bytes long.
Data: < W l > F8 57 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001955C3802A0, 16 bytes long.
Data: < W l > D8 57 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001955C37FAD0, 16 bytes long.
Data: <P l > 50 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001955C37F3F0, 16 bytes long.
Data: <0 l > 30 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001955C380200, 16 bytes long.
Data: < l > E0 02 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001955C37F760, 16 bytes long.
Data: < l > 10 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001955C37F800, 16 bytes long.
Data: <p l > 70 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001955C37FB20, 16 bytes long.
Data: < l > 18 C0 94 6C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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