Task 38686998
| Name | test_827-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2394_0 |
| Workunit | 31628404 |
| Created | 28 Oct 2026, 5:27:14 UTC |
| Sent | 28 Oct 2026, 5:27:18 UTC |
| Report deadline | 2 Nov 2026, 5:27:18 UTC |
| Received | 28 Oct 2026, 6:06:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590887 |
| Run time | 38 min 26 sec |
| CPU time | 34 min 20 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 | 670.68 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>
00:29:37 (173928): wrapper (7.9.26016): starting
00:29:37 (173928): 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
00:29:40 (173928): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:29:40 (173928): 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\11\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\11\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
01:06:10 (173928): C:/Windows/system32/cmd.exe exited; CPU time 2060.921875
01:06:10 (173928): 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: 35814131 bytes.
Dumping objects ->
{3835286} normal block at 0x000001621868F670, 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 0x000001621868FA60, 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 0x0000016218690080, 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 0x0000016216B86AC0, 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 0x0000016216B87070, 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 0x00000162186D8610, 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 0x0000016216BECA90, 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 0x0000016216B7F5D0, 8 bytes long.
Data: < b > 00 00 03 17 62 01 00 00
{3834570} normal block at 0x0000016216BEC9C0, 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 0x0000016216B7F580, 8 bytes long.
Data: <Àhs b > C0 68 73 18 62 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000016216B83A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000016216B77AD0, 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 0x0000016216B87FF0, 16 bytes long.
Data: <¸…¸ b > B8 85 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016216B87320, 16 bytes long.
Data: < …¸ b > 90 85 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016216B81030, 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 0x0000016216B87D70, 16 bytes long.
Data: <h…¸ b > 68 85 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000016216B87960, 16 bytes long.
Data: <@…¸ b > 40 85 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016216B875A0, 16 bytes long.
Data: < …¸ b > 18 85 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016216B88220, 16 bytes long.
Data: <ð„¸ b > F0 84 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016216B86C80, 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 0x0000016216B880E0, 16 bytes long.
Data: <8¾¶ b > 38 BE B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016216B81E70, 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 0x0000016216B87550, 16 bytes long.
Data: < ¾¶ b > 10 BE B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016216B87C80, 16 bytes long.
Data: <轶 b > E8 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016216B872D0, 16 bytes long.
Data: <À½¶ b > C0 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016216B87DC0, 16 bytes long.
Data: < ½¶ b > 98 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016216B881D0, 16 bytes long.
Data: <p½¶ b > 70 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016216B87500, 16 bytes long.
Data: <H½¶ b > 48 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016216B81C30, 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 0x0000016216B87D20, 16 bytes long.
Data: < ½¶ b > 20 BD B6 16 62 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016216B6BD20, 320 bytes long.
Data: < }¸ b 0 ¸ b > 20 7D B8 16 62 01 00 00 30 1C B8 16 62 01 00 00
{276} normal block at 0x0000016216B87AF0, 16 bytes long.
Data: <Є¸ b > D0 84 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016216B877D0, 16 bytes long.
Data: <¨„¸ b > A8 84 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016216B81930, 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 0x0000016216B87CD0, 16 bytes long.
Data: < „¸ b > 80 84 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016216B81ED0, 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 0x0000016216B87A00, 16 bytes long.
Data: <ȃ¸ b > C8 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016216B88180, 16 bytes long.
Data: < ƒ¸ b > A0 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016216B87C30, 16 bytes long.
Data: <xƒ¸ b > 78 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016216B87730, 16 bytes long.
Data: <Pƒ¸ b > 50 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016216B87F50, 16 bytes long.
Data: <(ƒ¸ b > 28 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016216B87BE0, 16 bytes long.
Data: < ƒ¸ b > 00 83 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016216B87B90, 16 bytes long.
Data: <@n¸ b > 40 6E B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016216B86E40, 40 bytes long.
Data: < {¸ b †m b > 90 7B B8 16 62 01 00 00 10 86 6D 18 62 01 00 00
{262} normal block at 0x0000016216B87780, 16 bytes long.
Data: <à‚¸ b > E0 82 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016216B87EB0, 16 bytes long.
Data: <¸‚¸ b > B8 82 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016216B814B0, 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 0x0000016216B87E60, 16 bytes long.
Data: < ‚¸ b > 90 82 B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000016216B88290, 992 bytes long.
Data: <`~¸ b ° ¸ b > 60 7E B8 16 62 01 00 00 B0 14 B8 16 62 01 00 00
{94} normal block at 0x0000016216B813F0, 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 0x0000016216B7EDB0, 16 bytes long.
Data: < o¸ b > 20 6F B8 16 62 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000016216B86F20, 40 bytes long.
Data: <°í· b ð ¸ b > B0 ED B7 16 62 01 00 00 F0 13 B8 16 62 01 00 00
{71} normal block at 0x0000016216B7F440, 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 0x0000016216B7F3F0, 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 0x0000016216B7F8F0, 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 0x0000016216B7F120, 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 0x0000016216B7F8A0, 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 0x0000016216B7F350, 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 0x0000016216B7EEA0, 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 0x0000016216B7F670, 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 0x0000016216B7F300, 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 0x0000016216B7EBD0, 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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