Task 38683675
| Name | test_938-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4377_0 |
| Workunit | 31625226 |
| Created | 27 Oct 2026, 12:48:04 UTC |
| Sent | 27 Oct 2026, 12:48:10 UTC |
| Report deadline | 1 Nov 2026, 12:48:10 UTC |
| Received | 27 Oct 2026, 13:19:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 523908 |
| Run time | 29 min 52 sec |
| CPU time | 28 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,279.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.06 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:49:03 (16044): wrapper (7.9.26016): starting
13:49:03 (16044): 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
13:49:04 (16044): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:49:04 (16044): 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\3\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\3\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
14:18:11 (16044): C:/Windows/system32/cmd.exe exited; CPU time 1682.718750
14:18:11 (16044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22958437 bytes.
Dumping objects ->
{3835235} normal block at 0x00000223E6588000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x00000223E65884D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x00000223E6587CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835202} normal block at 0x00000223E65883F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x00000223E4854700, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835160} normal block at 0x00000223E6599CC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x00000223E65ADE20, 102 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) : {3835146} normal block at 0x00000223E484F080, 8 bytes long.
Data: < ä# > 00 00 81 E4 23 02 00 00
{3834542} normal block at 0x00000223E65AEA80, 102 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 0x00000223E484ED10, 8 bytes long.
Data: < D_æ# > A0 44 5F E6 23 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000223E4850830, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000223E4845F00, 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 0x00000223E4855FE0, 16 bytes long.
Data: <Èc…ä# > C8 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000223E4855360, 16 bytes long.
Data: < c…ä# > A0 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000223E484FF60, 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 0x00000223E4855810, 16 bytes long.
Data: <xc…ä# > 78 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000223E4855900, 16 bytes long.
Data: <Pc…ä# > 50 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000223E4855270, 16 bytes long.
Data: <(c…ä# > 28 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000223E4855DB0, 16 bytes long.
Data: < c…ä# > 00 63 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000223E4854770, 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 0x00000223E4855D60, 16 bytes long.
Data: <¸ä„ä# > B8 E4 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000223E484FF00, 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 0x00000223E4855C70, 16 bytes long.
Data: < ä„ä# > 90 E4 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000223E4855540, 16 bytes long.
Data: <hä„ä# > 68 E4 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000223E48559A0, 16 bytes long.
Data: <@ä„ä# > 40 E4 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000223E4855AE0, 16 bytes long.
Data: < ä„ä# > 18 E4 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000223E4855310, 16 bytes long.
Data: <ðã„ä# > F0 E3 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000223E4855220, 16 bytes long.
Data: <Èã„ä# > C8 E3 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000223E484FE40, 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 0x00000223E4855180, 16 bytes long.
Data: < ã„ä# > A0 E3 84 E4 23 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000223E484E3A0, 320 bytes long.
Data: < Q…ä# @þ„ä# > 80 51 85 E4 23 02 00 00 40 FE 84 E4 23 02 00 00
{276} normal block at 0x00000223E4855C20, 16 bytes long.
Data: <àb…ä# > E0 62 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000223E4855A90, 16 bytes long.
Data: <¸b…ä# > B8 62 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000223E484FD20, 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 0x00000223E4855860, 16 bytes long.
Data: < b…ä# > 90 62 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000223E484FDE0, 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 0x00000223E48554A0, 16 bytes long.
Data: <Øa…ä# > D8 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000223E48550E0, 16 bytes long.
Data: <°a…ä# > B0 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000223E4856030, 16 bytes long.
Data: < a…ä# > 88 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000223E4855BD0, 16 bytes long.
Data: <`a…ä# > 60 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000223E4855B80, 16 bytes long.
Data: <8a…ä# > 38 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000223E48558B0, 16 bytes long.
Data: < a…ä# > 10 61 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000223E4855130, 16 bytes long.
Data: <`K…ä# > 60 4B 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000223E4854B60, 40 bytes long.
Data: <0Q…ä# ÀœYæ# > 30 51 85 E4 23 02 00 00 C0 9C 59 E6 23 02 00 00
{262} normal block at 0x00000223E4855B30, 16 bytes long.
Data: <ð`…ä# > F0 60 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000223E4855EA0, 16 bytes long.
Data: <È`…ä# > C8 60 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000223E48503E0, 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 0x00000223E48552C0, 16 bytes long.
Data: < `…ä# > A0 60 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000223E48560A0, 992 bytes long.
Data: <ÀR…ä# à …ä# > C0 52 85 E4 23 02 00 00 E0 03 85 E4 23 02 00 00
{94} normal block at 0x00000223E484F600, 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 0x00000223E484F170, 16 bytes long.
Data: <ðJ…ä# > F0 4A 85 E4 23 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000223E4854AF0, 40 bytes long.
Data: <pñ„ä# ö„ä# > 70 F1 84 E4 23 02 00 00 00 F6 84 E4 23 02 00 00
{71} normal block at 0x00000223E484E6D0, 16 bytes long.
Data: < êÌ ÷ > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000223E484ECC0, 16 bytes long.
Data: <@éÌ ÷ > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000223E484EAE0, 16 bytes long.
Data: <øWÉ ÷ > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000223E484F120, 16 bytes long.
Data: <ØWÉ ÷ > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000223E484ED60, 16 bytes long.
Data: <P É ÷ > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000223E484EEA0, 16 bytes long.
Data: <0 É ÷ > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000223E484EE50, 16 bytes long.
Data: <à É ÷ > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000223E484F210, 16 bytes long.
Data: < É ÷ > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000223E484F490, 16 bytes long.
Data: <p É ÷ > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000223E484EC70, 16 bytes long.
Data: < ÀÇ ÷ > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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