Task 38685848
| Name | test_441-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3934_0 |
| Workunit | 31627302 |
| Created | 27 Oct 2026, 23:14:42 UTC |
| Sent | 27 Oct 2026, 23:14:53 UTC |
| Report deadline | 1 Nov 2026, 23:14:53 UTC |
| Received | 28 Oct 2026, 1:35:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590887 |
| Run time | 38 min 21 sec |
| CPU time | 34 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,977.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.54 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:58:47 (193684): wrapper (7.9.26016): starting
19:58:47 (193684): 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
19:58:50 (193684): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:58:50 (193684): 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 'E:\ProgramData\BOINC\slots\1\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 'E:\ProgramData\BOINC\slots\1\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
20:35:01 (193684): C:/Windows/system32/cmd.exe exited; CPU time 2045.968750
20:35:01 (193684): 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: 35352889 bytes.
Dumping objects ->
{3835286} normal block at 0x0000020C9459DEB0, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000020C9459DAC0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x0000020C9459D6D0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835253} normal block at 0x0000020C929C59A0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000020C929C57E0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835211} normal block at 0x0000020C945EBE20, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x0000020C92A2B350, 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) : {3835197} normal block at 0x0000020C929BEB30, 8 bytes long.
Data: < ’ > 00 00 99 92 0C 02 00 00
{3834570} normal block at 0x0000020C92A2AF40, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000020C929BF1C0, 8 bytes long.
Data: <°Æž’ > B0 C6 9E 92 0C 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020C929B0430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020C929B81F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000020C929C6B60, 16 bytes long.
Data: <Xsœ’ > 58 73 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020C929C6890, 16 bytes long.
Data: <0sœ’ > 30 73 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020C929C1440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000020C929C6CF0, 16 bytes long.
Data: < sœ’ > 08 73 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020C929C6750, 16 bytes long.
Data: <àrœ’ > E0 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020C929C6DE0, 16 bytes long.
Data: <¸rœ’ > B8 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020C929C6520, 16 bytes long.
Data: < rœ’ > 90 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020C929C5540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000020C929C62F0, 16 bytes long.
Data: <¨ œ’ > A8 0C 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020C929C1140, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000020C929C6200, 16 bytes long.
Data: < œ’ > 80 0C 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020C929C6840, 16 bytes long.
Data: <X œ’ > 58 0C 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020C929C6E80, 16 bytes long.
Data: <0 œ’ > 30 0C 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020C929C6700, 16 bytes long.
Data: < œ’ > 08 0C 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020C929C60C0, 16 bytes long.
Data: <à œ’ > E0 0B 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020C929C6160, 16 bytes long.
Data: <¸ œ’ > B8 0B 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020C929C0FC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000020C929C6FC0, 16 bytes long.
Data: < œ’ > 90 0B 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020C929C0B90, 320 bytes long.
Data: <Àoœ’ À œ’ > C0 6F 9C 92 0C 02 00 00 C0 0F 9C 92 0C 02 00 00
{276} normal block at 0x0000020C929C6E30, 16 bytes long.
Data: <prœ’ > 70 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020C929C69D0, 16 bytes long.
Data: <Hrœ’ > 48 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020C929C1920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000020C929C68E0, 16 bytes long.
Data: < rœ’ > 20 72 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020C929C1BC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000020C929C6B10, 16 bytes long.
Data: <hqœ’ > 68 71 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020C929C6980, 16 bytes long.
Data: <@qœ’ > 40 71 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020C929C63E0, 16 bytes long.
Data: < qœ’ > 18 71 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020C929C6610, 16 bytes long.
Data: <ðpœ’ > F0 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020C929C66B0, 16 bytes long.
Data: <Èpœ’ > C8 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020C929C6660, 16 bytes long.
Data: < pœ’ > A0 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020C929C6430, 16 bytes long.
Data: <ÀXœ’ > C0 58 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020C929C58C0, 40 bytes long.
Data: <0dœ’ ¾^” > 30 64 9C 92 0C 02 00 00 20 BE 5E 94 0C 02 00 00
{262} normal block at 0x0000020C929C6F20, 16 bytes long.
Data: < pœ’ > 80 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020C929C67F0, 16 bytes long.
Data: <Xpœ’ > 58 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020C929C1B00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000020C929C6250, 16 bytes long.
Data: <0pœ’ > 30 70 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020C929C7030, 992 bytes long.
Data: <Pbœ’ œ’ > 50 62 9C 92 0C 02 00 00 00 1B 9C 92 0C 02 00 00
{94} normal block at 0x0000020C929C0D80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000020C929BEFE0, 16 bytes long.
Data: <PXœ’ > 50 58 9C 92 0C 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000020C929C5850, 40 bytes long.
Data: <àï›’ œ’ > E0 EF 9B 92 0C 02 00 00 80 0D 9C 92 0C 02 00 00
{71} normal block at 0x0000020C929BEC70, 16 bytes long.
Data: < ê›Øö > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020C929BF030, 16 bytes long.
Data: <@é›Øö > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020C929BF260, 16 bytes long.
Data: <øW Øö > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020C929BF5D0, 16 bytes long.
Data: <ØW Øö > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020C929BEE50, 16 bytes long.
Data: <P Øö > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020C929BEA90, 16 bytes long.
Data: <0 Øö > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020C929BF3F0, 16 bytes long.
Data: <à Øö > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020C929BF800, 16 bytes long.
Data: < Øö > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020C929BF170, 16 bytes long.
Data: <p Øö > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020C929BEAE0, 16 bytes long.
Data: < À–Øö > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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