Task 38674133
| Name | test_583-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4690_1 |
| Workunit | 31615981 |
| Created | 26 Oct 2026, 4:23:42 UTC |
| Sent | 26 Oct 2026, 4:23:45 UTC |
| Report deadline | 31 Oct 2026, 4:23:45 UTC |
| Received | 26 Oct 2026, 6:35:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631047 |
| Run time | 2 hours 0 min 37 sec |
| CPU time | 1 hours 14 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,933.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.64 MB |
| Peak swap size | 9.22 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:32:57 (22564): wrapper (7.9.26016): starting
13:32:57 (22564): 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
13:33:03 (22564): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:33:03 (22564): 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
15:31:26 (22564): C:/Windows/system32/cmd.exe exited; CPU time 4454.406250
15:31:26 (22564): 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: 102089931 bytes.
Dumping objects ->
{3835555} normal block at 0x0000028FDAD24790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x0000028FDAD24720, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835533} normal block at 0x0000028FDAD246B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835522} normal block at 0x0000028FDAD24950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835511} normal block at 0x0000028FDAD24870, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835480} normal block at 0x0000028FDCF36CB0, 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) : {3835467} normal block at 0x0000028FDAD1E780, 8 bytes long.
Data: < 1Û > 00 00 31 DB 8F 02 00 00
{3834045} normal block at 0x0000028FDAD1EEB0, 8 bytes long.
Data: <pØÐÚ > 70 D8 D0 DA 8F 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028FDAD207F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028FDAD151A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000028FDAD25AF0, 16 bytes long.
Data: < bÒÚ > E8 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028FDAD25730, 16 bytes long.
Data: <ÀbÒÚ > C0 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028FDAD1FF60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000028FDAD25410, 16 bytes long.
Data: < bÒÚ > 98 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028FDAD25910, 16 bytes long.
Data: <pbÒÚ > 70 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028FDAD258C0, 16 bytes long.
Data: <HbÒÚ > 48 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028FDAD259B0, 16 bytes long.
Data: < bÒÚ > 20 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028FDAD24A30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000028FDAD25190, 16 bytes long.
Data: < ÐÚ > 98 EF D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028FDAD1F4E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000028FDAD253C0, 16 bytes long.
Data: <p ÐÚ > 70 EF D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028FDAD25140, 16 bytes long.
Data: <H ÐÚ > 48 EF D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028FDAD25870, 16 bytes long.
Data: < ÐÚ > 20 EF D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028FDAD256E0, 16 bytes long.
Data: < ÐÚ > F8 EE D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028FDAD250A0, 16 bytes long.
Data: <Ð ÐÚ > D0 EE D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028FDAD25050, 16 bytes long.
Data: <¨ ÐÚ > A8 EE D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028FDAD1F180, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000028FDAD25D70, 16 bytes long.
Data: < ÐÚ > 80 EE D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028FDAD0EE80, 320 bytes long.
Data: <p]ÒÚ ÑÚ > 70 5D D2 DA 8F 02 00 00 80 F1 D1 DA 8F 02 00 00
{273} normal block at 0x0000028FDAD250F0, 16 bytes long.
Data: < bÒÚ > 00 62 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028FDAD25000, 16 bytes long.
Data: <ØaÒÚ > D8 61 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028FDAD1F840, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000028FDAD25F00, 16 bytes long.
Data: <°aÒÚ > B0 61 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028FDAD1F1E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000028FDAD25A50, 16 bytes long.
Data: < `ÒÚ > F8 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028FDAD25820, 16 bytes long.
Data: <Ð`ÒÚ > D0 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028FDAD25CD0, 16 bytes long.
Data: <¨`ÒÚ > A8 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028FDAD25690, 16 bytes long.
Data: < `ÒÚ > 80 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028FDAD25960, 16 bytes long.
Data: <X`ÒÚ > 58 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028FDAD25550, 16 bytes long.
Data: <0`ÒÚ > 30 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028FDAD257D0, 16 bytes long.
Data: < KÒÚ > 80 4B D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028FDAD24B80, 40 bytes long.
Data: <ÐWÒÚ °l Ü > D0 57 D2 DA 8F 02 00 00 B0 6C F3 DC 8F 02 00 00
{259} normal block at 0x0000028FDAD25EB0, 16 bytes long.
Data: < `ÒÚ > 10 60 D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028FDAD25640, 16 bytes long.
Data: < _ÒÚ > E8 5F D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028FDAD1F300, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000028FDAD25370, 16 bytes long.
Data: <À_ÒÚ > C0 5F D2 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028FDAD25FC0, 992 bytes long.
Data: <pSÒÚ ÑÚ > 70 53 D2 DA 8F 02 00 00 00 F3 D1 DA 8F 02 00 00
{91} normal block at 0x0000028FDAD1F3C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000028FDAD1ECD0, 16 bytes long.
Data: <pÇÐÚ > 70 C7 D0 DA 8F 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000028FDAD0C770, 40 bytes long.
Data: <Ð ÑÚ À ÑÚ > D0 EC D1 DA 8F 02 00 00 C0 F3 D1 DA 8F 02 00 00
{66} normal block at 0x0000028FDAD1E0F0, 16 bytes long.
Data: < ` > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028FDAD1EC80, 16 bytes long.
Data: <@ ` > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028FDAD1E870, 16 bytes long.
Data: < W ` > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028FDAD1EDC0, 16 bytes long.
Data: <ØW ` > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028FDAD1E0A0, 16 bytes long.
Data: <P ` > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028FDAD1EAF0, 16 bytes long.
Data: <0 ` > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028FDAD1E1E0, 16 bytes long.
Data: < ` > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000028FDAD1EB90, 16 bytes long.
Data: < ` > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000028FDAD1EE60, 16 bytes long.
Data: <p ` > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000028FDAD1E050, 16 bytes long.
Data: < À ` > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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