Task 38689004
| Name | test_959-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7930_0 |
| Workunit | 31630290 |
| Created | 28 Oct 2026, 17:35:22 UTC |
| Sent | 28 Oct 2026, 17:35:26 UTC |
| Report deadline | 2 Nov 2026, 17:35:26 UTC |
| Received | 28 Oct 2026, 19:08:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615074 |
| Run time | 59 min 36 sec |
| CPU time | 54 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,856.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.63 MB |
| Peak swap size | 11.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:20 (14356): wrapper (7.9.26016): starting
19:10:20 (14356): 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
19:10:23 (14356): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:10:23 (14356): 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\27\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\27\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
20:07:42 (14356): C:/Windows/system32/cmd.exe exited; CPU time 3241.828125
20:07:42 (14356): 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: 47694167 bytes.
Dumping objects ->
{3835220} normal block at 0x0000023B7CC779D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000023B7CC77500, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000023B7CC76D90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x0000023B7CC77A40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x0000023B7CC773B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x0000023B7E85CA00, 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) : {3835132} normal block at 0x0000023B7CC48C20, 8 bytes long.
Data: < Z~; > 00 00 5A 7E 3B 02 00 00
{3833949} normal block at 0x0000023B7CC48E00, 8 bytes long.
Data: <Àé{~; > C0 E9 7B 7E 3B 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000023B7CC4EB80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023B7CC35C70, 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 0x0000023B7CC53D40, 16 bytes long.
Data: <ÈKÅ|; > C8 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023B7CC53E80, 16 bytes long.
Data: < KÅ|; > A0 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023B7CC4F2C0, 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 0x0000023B7CC53C50, 16 bytes long.
Data: <xKÅ|; > 78 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023B7CC541A0, 16 bytes long.
Data: <PKÅ|; > 50 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023B7CC54150, 16 bytes long.
Data: <(KÅ|; > 28 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023B7CC540B0, 16 bytes long.
Data: < KÅ|; > 00 4B C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023B7CC4DD20, 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 0x0000023B7CC53B10, 16 bytes long.
Data: < \Ã|; > 08 5C C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023B7CC4EF60, 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 0x0000023B7CC53BB0, 16 bytes long.
Data: <à[Ã|; > E0 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023B7CC54240, 16 bytes long.
Data: <¸[Ã|; > B8 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023B7CC53AC0, 16 bytes long.
Data: < [Ã|; > 90 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023B7CC543D0, 16 bytes long.
Data: <h[Ã|; > 68 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023B7CC53A70, 16 bytes long.
Data: <@[Ã|; > 40 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023B7CC539D0, 16 bytes long.
Data: < [Ã|; > 18 5B C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023B7CC4EE40, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{272} normal block at 0x0000023B7CC53980, 16 bytes long.
Data: <ðZÃ|; > F0 5A C3 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023B7CC35AF0, 320 bytes long.
Data: < 9Å|; @îÄ|; > 80 39 C5 7C 3B 02 00 00 40 EE C4 7C 3B 02 00 00
{270} normal block at 0x0000023B7CC53930, 16 bytes long.
Data: <àJÅ|; > E0 4A C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023B7CC54600, 16 bytes long.
Data: <¸JÅ|; > B8 4A C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023B7CC4F140, 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 0x0000023B7CC53C00, 16 bytes long.
Data: < JÅ|; > 90 4A C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023B7CC4F200, 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 0x0000023B7CC54060, 16 bytes long.
Data: <ØIÅ|; > D8 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023B7CC541F0, 16 bytes long.
Data: <°IÅ|; > B0 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023B7CC547E0, 16 bytes long.
Data: < IÅ|; > 88 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023B7CC538E0, 16 bytes long.
Data: <`IÅ|; > 60 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023B7CC54100, 16 bytes long.
Data: <8IÅ|; > 38 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023B7CC545B0, 16 bytes long.
Data: < IÅ|; > 10 49 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023B7CC54010, 16 bytes long.
Data: <°ÜÄ|; > B0 DC C4 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023B7CC4DCB0, 40 bytes long.
Data: < @Å|; Ê…~; > 10 40 C5 7C 3B 02 00 00 00 CA 85 7E 3B 02 00 00
{256} normal block at 0x0000023B7CC54560, 16 bytes long.
Data: <ðHÅ|; > F0 48 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023B7CC546F0, 16 bytes long.
Data: <ÈHÅ|; > C8 48 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023B7CC4F4A0, 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 0x0000023B7CC53A20, 16 bytes long.
Data: < HÅ|; > A0 48 C5 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023B7CC548A0, 992 bytes long.
Data: < :Å|;  ôÄ|; > 20 3A C5 7C 3B 02 00 00 A0 F4 C4 7C 3B 02 00 00
{88} normal block at 0x0000023B7CC4ED80, 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 0x0000023B7CC497B0, 16 bytes long.
Data: <ðÚÄ|; > F0 DA C4 7C 3B 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000023B7CC4DAF0, 40 bytes long.
Data: <°—Ä|; íÄ|; > B0 97 C4 7C 3B 02 00 00 80 ED C4 7C 3B 02 00 00
{65} normal block at 0x0000023B7CC493A0, 16 bytes long.
Data: < êÎ ö > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023B7CC49120, 16 bytes long.
Data: <@éÎ ö > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023B7CC496C0, 16 bytes long.
Data: <øWË ö > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023B7CC48B80, 16 bytes long.
Data: <ØWË ö > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023B7CC48B30, 16 bytes long.
Data: <P Ë ö > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023B7CC48AE0, 16 bytes long.
Data: <0 Ë ö > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023B7CC49030, 16 bytes long.
Data: <à Ë ö > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023B7CC492B0, 16 bytes long.
Data: < Ë ö > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023B7CC49170, 16 bytes long.
Data: <p Ë ö > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023B7CC48FE0, 16 bytes long.
Data: < ÀÉ ö > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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