Task 38684627
| Name | test_330-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7725_0 |
| Workunit | 31626135 |
| Created | 27 Oct 2026, 17:14:14 UTC |
| Sent | 27 Oct 2026, 17:14:19 UTC |
| Report deadline | 1 Nov 2026, 17:14:19 UTC |
| Received | 27 Oct 2026, 17:51:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648841 |
| Run time | 16 min 57 sec |
| CPU time | 16 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 761.46 MB |
| Peak swap size | 13.06 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:35:05 (54696): wrapper (7.9.26016): starting
18:35:05 (54696): 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
18:35:06 (54696): Library/usr/bin/tar.exe exited; CPU time 0.031250
18:35:06 (54696): 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\23\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\23\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
18:51:25 (54696): C:/Windows/system32/cmd.exe exited; CPU time 963.125000
18:51:25 (54696): 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: 24275303 bytes.
Dumping objects ->
{3835552} normal block at 0x000001E4E3A2CEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835541} normal block at 0x000001E4E3A2CE40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x000001E4E1C14A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835519} normal block at 0x000001E4E1C149F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000001E4E1C14980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835477} normal block at 0x000001E4E3A799F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000001E4E3A8E920, 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) : {3835463} normal block at 0x000001E4E1C0ED60, 8 bytes long.
Data: < âä > 00 00 10 E2 E4 01 00 00
{3834688} normal block at 0x000001E4E3A8EC90, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001E4E1C0F620, 8 bytes long.
Data: <0ߨãä > 30 DF A8 E3 E4 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E4E1C10F60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E4E1C06980, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E4E1C158B0, 16 bytes long.
Data: <xhÁáä > 78 68 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E4E1C163F0, 16 bytes long.
Data: <PhÁáä > 50 68 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E4E1C10110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E4E1C15FE0, 16 bytes long.
Data: <(hÁáä > 28 68 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E4E1C15CC0, 16 bytes long.
Data: < hÁáä > 00 68 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E4E1C163A0, 16 bytes long.
Data: <ØgÁáä > D8 67 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E4E1C16350, 16 bytes long.
Data: <°gÁáä > B0 67 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E4E1C14C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E4E1C15F90, 16 bytes long.
Data: < ·¿áä > 08 B7 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E4E1C0FF90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E4E1C15B80, 16 bytes long.
Data: <඿áä > E0 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E4E1C16260, 16 bytes long.
Data: <¸¶¿áä > B8 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E4E1C15EA0, 16 bytes long.
Data: < ¶¿áä > 90 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E4E1C15B30, 16 bytes long.
Data: <h¶¿áä > 68 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E4E1C15AE0, 16 bytes long.
Data: <@¶¿áä > 40 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E4E1C161C0, 16 bytes long.
Data: < ¶¿áä > 18 B6 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E4E1C103B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E4E1C16300, 16 bytes long.
Data: <ðµ¿áä > F0 B5 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E4E1BFB5F0, 320 bytes long.
Data: < cÁáä ° Ááä > 00 63 C1 E1 E4 01 00 00 B0 03 C1 E1 E4 01 00 00
{277} normal block at 0x000001E4E1C15F40, 16 bytes long.
Data: < gÁáä > 90 67 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E4E1C15860, 16 bytes long.
Data: <hgÁáä > 68 67 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E4E1C102F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E4E1C159F0, 16 bytes long.
Data: <@gÁáä > 40 67 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E4E1C0FF30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E4E1C16030, 16 bytes long.
Data: < fÁáä > 88 66 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E4E1C162B0, 16 bytes long.
Data: <`fÁáä > 60 66 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E4E1C16120, 16 bytes long.
Data: <8fÁáä > 38 66 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E4E1C15770, 16 bytes long.
Data: < fÁáä > 10 66 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E4E1C15BD0, 16 bytes long.
Data: <èeÁáä > E8 65 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E4E1C156D0, 16 bytes long.
Data: <ÀeÁáä > C0 65 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E4E1C16440, 16 bytes long.
Data: <pMÁáä > 70 4D C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E4E1C14D70, 40 bytes long.
Data: <@dÁáä ð §ãä > 40 64 C1 E1 E4 01 00 00 F0 99 A7 E3 E4 01 00 00
{263} normal block at 0x000001E4E1C15720, 16 bytes long.
Data: < eÁáä > A0 65 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E4E1C15950, 16 bytes long.
Data: <xeÁáä > 78 65 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E4E1C105F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E4E1C15C70, 16 bytes long.
Data: <PeÁáä > 50 65 C1 E1 E4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E4E1C16550, 992 bytes long.
Data: <p\Ááä ð Ááä > 70 5C C1 E1 E4 01 00 00 F0 05 C1 E1 E4 01 00 00
{95} normal block at 0x000001E4E1C0FC90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E4E1C0F850, 16 bytes long.
Data: <àð¿áä > E0 F0 BF E1 E4 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E4E1BFF0E0, 40 bytes long.
Data: <PøÀáä üÀáä > 50 F8 C0 E1 E4 01 00 00 90 FC C0 E1 E4 01 00 00
{72} normal block at 0x000001E4E1C0F760, 16 bytes long.
Data: < ê¡ñ÷ > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E4E1C0EF40, 16 bytes long.
Data: <@é¡ñ÷ > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E4E1C0EB30, 16 bytes long.
Data: <øWžñ÷ > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E4E1C0F350, 16 bytes long.
Data: <ØWžñ÷ > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E4E1C0F5D0, 16 bytes long.
Data: <P žñ÷ > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E4E1C0F4E0, 16 bytes long.
Data: <0 žñ÷ > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E4E1C0F7B0, 16 bytes long.
Data: <à žñ÷ > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E4E1C0F6C0, 16 bytes long.
Data: < žñ÷ > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E4E1C0F490, 16 bytes long.
Data: <p žñ÷ > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E4E1C0F580, 16 bytes long.
Data: < Àœñ÷ > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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