Task 38682029
| Name | test_636-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3366_0 |
| Workunit | 31623666 |
| Created | 27 Oct 2026, 6:18:14 UTC |
| Sent | 27 Oct 2026, 6:18:14 UTC |
| Report deadline | 1 Nov 2026, 6:18:14 UTC |
| Received | 27 Oct 2026, 7:53:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 592498 |
| Run time | 34 min 9 sec |
| CPU time | 26 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,072.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.80 MB |
| Peak swap size | 8.28 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:20:09 (29404): wrapper (7.9.26016): starting
01:20:09 (29404): 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
01:20:11 (29404): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:20:11 (29404): 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\10\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\10\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
01:52:34 (29404): C:/Windows/system32/cmd.exe exited; CPU time 1607.531250
01:52:34 (29404): 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: 44536765 bytes.
Dumping objects ->
{3835194} normal block at 0x000001E5FE38FC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001E5FE38FAB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001E5FE390140, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x000001E5FE38FF10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000001E5FE38FE30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x000001E581AFB200, 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) : {3835105} normal block at 0x000001E5FE38C480, 8 bytes long.
Data: < ùÿå > 00 00 F9 FF E5 01 00 00
{3833947} normal block at 0x000001E5FE38CA20, 8 bytes long.
Data: < Nµ å > 90 4E B5 81 E5 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E5FE37C7E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E5FE375CE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001E5FE38BBC0, 16 bytes long.
Data: <Ø 9þå > D8 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E5FE38C750, 16 bytes long.
Data: <° 9þå > B0 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E5FE38B890, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001E5FE38BB20, 16 bytes long.
Data: < 9þå > 88 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E5FE38C700, 16 bytes long.
Data: <` 9þå > 60 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E5FE38C2A0, 16 bytes long.
Data: <8 9þå > 38 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E5FE38C250, 16 bytes long.
Data: < 9þå > 10 06 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E5FE38FEA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001E5FE38C200, 16 bytes long.
Data: <¸¨8þå > B8 A8 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E5FE38AE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001E5FE38C430, 16 bytes long.
Data: < ¨8þå > 90 A8 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E5FE38C2F0, 16 bytes long.
Data: <h¨8þå > 68 A8 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E5FE38C9D0, 16 bytes long.
Data: <@¨8þå > 40 A8 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E5FE38C980, 16 bytes long.
Data: < ¨8þå > 18 A8 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E5FE38BF30, 16 bytes long.
Data: <ð§8þå > F0 A7 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E5FE38C930, 16 bytes long.
Data: <ȧ8þå > C8 A7 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E5FE38B6B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001E5FE38BC60, 16 bytes long.
Data: < §8þå > A0 A7 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E5FE38A7A0, 320 bytes long.
Data: <`¼8þå °¶8þå > 60 BC 38 FE E5 01 00 00 B0 B6 38 FE E5 01 00 00
{269} normal block at 0x000001E5FE38C8E0, 16 bytes long.
Data: <ð 9þå > F0 05 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E5FE38C390, 16 bytes long.
Data: <È 9þå > C8 05 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E5FE38ACF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001E5FE38C6B0, 16 bytes long.
Data: <  9þå > A0 05 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E5FE38B650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001E5FE38C610, 16 bytes long.
Data: <è 9þå > E8 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E5FE38C7F0, 16 bytes long.
Data: <À 9þå > C0 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E5FE38C1B0, 16 bytes long.
Data: < 9þå > 98 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E5FE38C840, 16 bytes long.
Data: <p 9þå > 70 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E5FE38BFD0, 16 bytes long.
Data: <H 9þå > 48 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E5FE38C7A0, 16 bytes long.
Data: < 9þå > 20 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E5FE38BB70, 16 bytes long.
Data: <ðÿ8þå > F0 FF 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E5FE38FFF0, 40 bytes long.
Data: <p»8þå ²¯ å > 70 BB 38 FE E5 01 00 00 00 B2 AF 81 E5 01 00 00
{255} normal block at 0x000001E5FE38C4D0, 16 bytes long.
Data: < 9þå > 00 04 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E5FE38BF80, 16 bytes long.
Data: <Ø 9þå > D8 03 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E5FE38B1D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001E5FE38BC10, 16 bytes long.
Data: <° 9þå > B0 03 39 FE E5 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001E5FE3903B0, 992 bytes long.
Data: < ¼8þå б8þå > 10 BC 38 FE E5 01 00 00 D0 B1 38 FE E5 01 00 00
{87} normal block at 0x000001E5FE38B170, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001E5FE38C890, 16 bytes long.
Data: <Àý8þå > C0 FD 38 FE E5 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001E5FE38FDC0, 40 bytes long.
Data: < È8þå p±8þå > 90 C8 38 FE E5 01 00 00 70 B1 38 FE E5 01 00 00
{64} normal block at 0x000001E5FE38BDA0, 16 bytes long.
Data: < êEýö > 80 EA 45 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E5FE38CA70, 16 bytes long.
Data: <@éEýö > 40 E9 45 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E5FE38BE90, 16 bytes long.
Data: <øWBýö > F8 57 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E5FE37F740, 16 bytes long.
Data: <ØWBýö > D8 57 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E5FE37F6F0, 16 bytes long.
Data: <P Býö > 50 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E5FE37F4C0, 16 bytes long.
Data: <0 Býö > 30 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E5FE37F5B0, 16 bytes long.
Data: <à Býö > E0 02 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E5FE37FB50, 16 bytes long.
Data: < Býö > 10 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E5FE37F420, 16 bytes long.
Data: <p Býö > 70 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001E5FE37F330, 16 bytes long.
Data: < À@ýö > 18 C0 40 FD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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