Task 38686294
| Name | test_176-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7215_0 |
| Workunit | 31627730 |
| Created | 28 Oct 2026, 1:46:00 UTC |
| Sent | 28 Oct 2026, 1:46:04 UTC |
| Report deadline | 2 Nov 2026, 1:46:04 UTC |
| Received | 28 Oct 2026, 4:06:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 496592 |
| Run time | 43 min 56 sec |
| CPU time | 42 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,334.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 670.82 MB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
04:16:52 (13604): wrapper (7.9.26016): starting
04:16:52 (13604): 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
04:16:54 (13604): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:54 (13604): 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.
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
05:00:55 (13604): C:/Windows/system32/cmd.exe exited; CPU time 2574.250000
05:00:55 (13604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 36666647 bytes.
Dumping objects ->
{3835361} normal block at 0x0000020EE61E1410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835350} normal block at 0x0000020EE61E0F40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835339} normal block at 0x0000020EE61E0C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835328} normal block at 0x0000020EE61E1020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835317} normal block at 0x0000020EE61E1330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835286} normal block at 0x0000020EE62D5240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000020EE481D940, 141 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) : {3835272} normal block at 0x0000020EE47B8990, 8 bytes long.
Data: < ?æ > 00 00 3F E6 0E 02 00 00
{3834603} normal block at 0x0000020EE481DFC0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x0000020EE47B8490, 8 bytes long.
Data: <À.3æ > C0 2E 33 E6 0E 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020EE47C3BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020EE47AEA70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000020EE47C4E10, 16 bytes long.
Data: < _|ä > 18 5F 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020EE47C4D70, 16 bytes long.
Data: <ð^|ä > F0 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020EE47BC8A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000020EE47C52C0, 16 bytes long.
Data: <È^|ä > C8 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020EE47C5680, 16 bytes long.
Data: < ^|ä > A0 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020EE47C5090, 16 bytes long.
Data: <x^|ä > 78 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020EE47C5A40, 16 bytes long.
Data: <P^|ä > 50 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020EE47BEB60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000020EE47C59F0, 16 bytes long.
Data: <¸_zä > B8 5F 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020EE47BD440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000020EE47C5950, 16 bytes long.
Data: < _zä > 90 5F 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020EE47C53B0, 16 bytes long.
Data: <h_zä > 68 5F 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020EE47C4D20, 16 bytes long.
Data: <@_zä > 40 5F 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020EE47C5720, 16 bytes long.
Data: < _zä > 18 5F 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020EE47C5220, 16 bytes long.
Data: <ð^zä > F0 5E 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020EE47C5B30, 16 bytes long.
Data: <È^zä > C8 5E 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020EE47BCBA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000020EE47C5040, 16 bytes long.
Data: < ^zä > A0 5E 7A E4 0E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020EE47A5EA0, 320 bytes long.
Data: <@P|ä  Ë{ä > 40 50 7C E4 0E 02 00 00 A0 CB 7B E4 0E 02 00 00
{271} normal block at 0x0000020EE47C5AE0, 16 bytes long.
Data: <0^|ä > 30 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020EE47C4FF0, 16 bytes long.
Data: < ^|ä > 08 5E 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020EE47BD620, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000020EE47C5630, 16 bytes long.
Data: <à]|ä > E0 5D 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020EE47BCF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000020EE47C4CD0, 16 bytes long.
Data: <(]|ä > 28 5D 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020EE47C4FA0, 16 bytes long.
Data: < ]|ä > 00 5D 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020EE47C56D0, 16 bytes long.
Data: <Ø\|ä > D8 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020EE47C5A90, 16 bytes long.
Data: <°\|ä > B0 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020EE47C57C0, 16 bytes long.
Data: < \|ä > 88 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020EE47C4C80, 16 bytes long.
Data: <`\|ä > 60 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020EE47C4C30, 16 bytes long.
Data: <`ä{ä > 60 E4 7B E4 0E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020EE47BE460, 40 bytes long.
Data: <0L|ä @R-æ > 30 4C 7C E4 0E 02 00 00 40 52 2D E6 0E 02 00 00
{257} normal block at 0x0000020EE47C5B80, 16 bytes long.
Data: <@\|ä > 40 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020EE47C4F00, 16 bytes long.
Data: < \|ä > 18 5C 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020EE47BD5C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000020EE47C5860, 16 bytes long.
Data: <ð[|ä > F0 5B 7C E4 0E 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000020EE47C5BF0, 992 bytes long.
Data: <`X|ä ÀÕ{ä > 60 58 7C E4 0E 02 00 00 C0 D5 7B E4 0E 02 00 00
{89} normal block at 0x0000020EE47BD380, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000020EE47B83A0, 16 bytes long.
Data: <pç{ä > 70 E7 7B E4 0E 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000020EE47BE770, 40 bytes long.
Data: < ƒ{ä Ó{ä > A0 83 7B E4 0E 02 00 00 80 D3 7B E4 0E 02 00 00
{66} normal block at 0x0000020EE47B8210, 16 bytes long.
Data: < ê&·ö > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020EE47B8D00, 16 bytes long.
Data: <@é&·ö > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020EE47B85D0, 16 bytes long.
Data: <øW#·ö > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020EE47B8BC0, 16 bytes long.
Data: <ØW#·ö > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020EE47B8CB0, 16 bytes long.
Data: <P #·ö > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020EE47B88F0, 16 bytes long.
Data: <0 #·ö > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020EE47B8710, 16 bytes long.
Data: <à #·ö > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020EE47B8DA0, 16 bytes long.
Data: < #·ö > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020EE47B8170, 16 bytes long.
Data: <p #·ö > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000020EE47B87B0, 16 bytes long.
Data: < À!·ö > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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