Task 38683076
| Name | test_861-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0987_0 |
| Workunit | 31624656 |
| Created | 27 Oct 2026, 10:20:48 UTC |
| Sent | 27 Oct 2026, 10:20:51 UTC |
| Report deadline | 1 Nov 2026, 10:20:51 UTC |
| Received | 27 Oct 2026, 14:45:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 8 min 17 sec |
| CPU time | 1 hours 3 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 869.55 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:38:52 (7284): wrapper (7.9.26016): starting
15:38:52 (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
15:38:55 (7284): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:38:55 (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:\ProgramData\BOINC\slots\4\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\4\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
16:45:22 (7284): C:/Windows/system32/cmd.exe exited; CPU time 3785.500000
16:45:22 (7284): 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: 47322559 bytes.
Dumping objects ->
{3835194} normal block at 0x000001C74B2B1250, 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 0x000001C74B2B11E0, 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 0x000001C74B2B0DF0, 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 0x000001C74B2B1170, 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 0x000001C74B2B14F0, 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 0x000001C74B3BB120, 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) : {3835106} normal block at 0x000001C7498662A0, 8 bytes long.
Data: < IÇ > 00 00 80 49 C7 01 00 00
{3833949} normal block at 0x000001C749866020, 8 bytes long.
Data: <°hAKÇ > B0 68 41 4B C7 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C749870C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C749855CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001C749871E00, 16 bytes long.
Data: <(/‡IÇ > 28 2F 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C749871DB0, 16 bytes long.
Data: < /‡IÇ > 00 2F 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C74986C2A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001C749872210, 16 bytes long.
Data: <Ø.‡IÇ > D8 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C7498728A0, 16 bytes long.
Data: <°.‡IÇ > B0 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C749872800, 16 bytes long.
Data: < .‡IÇ > 88 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C749871D10, 16 bytes long.
Data: <`.‡IÇ > 60 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C74986A180, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001C749871D60, 16 bytes long.
Data: < \…IÇ > 88 5C 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C74986C240, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001C749872760, 16 bytes long.
Data: <`\…IÇ > 60 5C 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C7498720D0, 16 bytes long.
Data: <8\…IÇ > 38 5C 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C749871C20, 16 bytes long.
Data: < \…IÇ > 10 5C 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C7498724E0, 16 bytes long.
Data: <è[…IÇ > E8 5B 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C749871BD0, 16 bytes long.
Data: <À[…IÇ > C0 5B 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C749871EA0, 16 bytes long.
Data: < […IÇ > 98 5B 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C74986BB80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001C749871AE0, 16 bytes long.
Data: <p[…IÇ > 70 5B 85 49 C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C749855B70, 320 bytes long.
Data: <à ‡IÇ »†IÇ > E0 1A 87 49 C7 01 00 00 80 BB 86 49 C7 01 00 00
{270} normal block at 0x000001C7498725D0, 16 bytes long.
Data: <@.‡IÇ > 40 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C749872620, 16 bytes long.
Data: < .‡IÇ > 18 2E 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C74986B7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001C749871B80, 16 bytes long.
Data: <ð-‡IÇ > F0 2D 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C74986C000, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001C749872580, 16 bytes long.
Data: <8-‡IÇ > 38 2D 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C749872260, 16 bytes long.
Data: < -‡IÇ > 10 2D 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C749872080, 16 bytes long.
Data: <è,‡IÇ > E8 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C749871B30, 16 bytes long.
Data: <À,‡IÇ > C0 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C749871CC0, 16 bytes long.
Data: < ,‡IÇ > 98 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C749872300, 16 bytes long.
Data: <p,‡IÇ > 70 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C749872710, 16 bytes long.
Data: <`¢†IÇ > 60 A2 86 49 C7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C74986A260, 40 bytes long.
Data: < '‡IÇ ±;KÇ > 10 27 87 49 C7 01 00 00 20 B1 3B 4B C7 01 00 00
{256} normal block at 0x000001C749872440, 16 bytes long.
Data: <P,‡IÇ > 50 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C749872530, 16 bytes long.
Data: <(,‡IÇ > 28 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C74986B760, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001C749871F40, 16 bytes long.
Data: < ,‡IÇ > 00 2C 87 49 C7 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001C749872C00, 992 bytes long.
Data: <@ ‡IÇ `·†IÇ > 40 1F 87 49 C7 01 00 00 60 B7 86 49 C7 01 00 00
{88} normal block at 0x000001C74986BFA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001C749865F30, 16 bytes long.
Data: <ॆIÇ > E0 A5 86 49 C7 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001C74986A5E0, 40 bytes long.
Data: <0_†IÇ  ¿†IÇ > 30 5F 86 49 C7 01 00 00 A0 BF 86 49 C7 01 00 00
{65} normal block at 0x000001C7498653F0, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C749865800, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C749865620, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C749865DA0, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C749866160, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C749865E90, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C749865850, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C749865BC0, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C7498659E0, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C7498662F0, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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