Task 38679195

Name test_269-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9645_0
Workunit 31620985
Created 26 Oct 2026, 19:47:27 UTC
Sent 26 Oct 2026, 19:47:34 UTC
Report deadline 31 Oct 2026, 19:47:34 UTC
Received 26 Oct 2026, 20:34:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 46 min 8 sec
CPU time 43 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.41 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:48:38 (4148): wrapper (7.9.26016): starting
15:48:38 (4148): 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
15:48:39 (4148): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:39 (4148): 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\13\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\13\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
16:33:49 (4148): C:/Windows/system32/cmd.exe exited; CPU time 2591.296875
16:33:49 (4148): 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: 34535961 bytes.
Dumping objects ->
{3835219} normal block at 0x000001B52E2DE6E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001B52E2DDF70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001B52E2DE980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001B52E2DE130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001B52C7BB720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001B52E326610, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001B52E33F0C0, 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) : {3835130} normal block at 0x000001B52C7B65C0, 8 bytes long.
 Data: <  t,&#181;   > 00 00 74 2C B5 01 00 00 
{3834526} normal block at 0x000001B52E33F6F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001B52C7B69D0, 8 bytes long.
 Data: <&#208;E8.&#181;   > D0 45 38 2E B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B52C7C2500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B52C7A8ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001B52C7C3D60, 16 bytes long.
 Data: <&#248;\|,&#181;           > F8 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B52C7C3450, 16 bytes long.
 Data: <&#208;\|,&#181;           > D0 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B52C7BCEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001B52C7C4350, 16 bytes long.
 Data: <&#168;\|,&#181;           > A8 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B52C7C4300, 16 bytes long.
 Data: < \|,&#181;           > 80 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B52C7C37C0, 16 bytes long.
 Data: <X\|,&#181;           > 58 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B52C7C3D10, 16 bytes long.
 Data: <0\|,&#181;           > 30 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B52C7BB870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001B52C7C3C20, 16 bytes long.
 Data: <H&#198;{,&#181;           > 48 C6 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B52C7BD000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001B52C7C4260, 16 bytes long.
 Data: < &#198;{,&#181;           > 20 C6 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B52C7C42B0, 16 bytes long.
 Data: <&#248;&#197;{,&#181;           > F8 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B52C7C3EA0, 16 bytes long.
 Data: <&#208;&#197;{,&#181;           > D0 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B52C7C34F0, 16 bytes long.
 Data: <&#168;&#197;{,&#181;           > A8 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B52C7C35E0, 16 bytes long.
 Data: < &#197;{,&#181;           > 80 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B52C7C4170, 16 bytes long.
 Data: <X&#197;{,&#181;           > 58 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B52C7BCB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001B52C7C4120, 16 bytes long.
 Data: <0&#197;{,&#181;           > 30 C5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B52C7BC530, 320 bytes long.
 Data: < A|,&#181;    &#203;{,&#181;   > 20 41 7C 2C B5 01 00 00 20 CB 7B 2C B5 01 00 00 
{268} normal block at 0x000001B52C7C3590, 16 bytes long.
 Data: < \|,&#181;           > 10 5C 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B52C7C3EF0, 16 bytes long.
 Data: <&#232;[|,&#181;           > E8 5B 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B52C7BCBE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001B52C7C3B30, 16 bytes long.
 Data: <&#192;[|,&#181;           > C0 5B 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B52C7BD600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001B52C7C4210, 16 bytes long.
 Data: < [|,&#181;           > 08 5B 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B52C7C3CC0, 16 bytes long.
 Data: <&#224;Z|,&#181;           > E0 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B52C7C41C0, 16 bytes long.
 Data: <&#184;Z|,&#181;           > B8 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B52C7C3770, 16 bytes long.
 Data: < Z|,&#181;           > 90 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B52C7C3A40, 16 bytes long.
 Data: <hZ|,&#181;           > 68 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B52C7C3540, 16 bytes long.
 Data: <@Z|,&#181;           > 40 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B52C7C3BD0, 16 bytes long.
 Data: <&#192;&#185;{,&#181;           > C0 B9 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B52C7BB9C0, 40 bytes long.
 Data: <&#208;;|,&#181;    f2.&#181;   > D0 3B 7C 2C B5 01 00 00 10 66 32 2E B5 01 00 00 
{254} normal block at 0x000001B52C7C4080, 16 bytes long.
 Data: < Z|,&#181;           > 20 5A 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B52C7C3680, 16 bytes long.
 Data: <&#248;Y|,&#181;           > F8 59 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B52C7BD120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001B52C7C3FE0, 16 bytes long.
 Data: <&#208;Y|,&#181;           > D0 59 7C 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B52C7C59D0, 992 bytes long.
 Data: <&#224;?|,&#181;    &#209;{,&#181;   > E0 3F 7C 2C B5 01 00 00 20 D1 7B 2C B5 01 00 00 
{86} normal block at 0x000001B52C7BCD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001B52C7B6BB0, 16 bytes long.
 Data: <&#208;&#181;{,&#181;           > D0 B5 7B 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B52C7BB5D0, 40 bytes long.
 Data: <&#176;k{,&#181;   `&#205;{,&#181;   > B0 6B 7B 2C B5 01 00 00 60 CD 7B 2C B5 01 00 00 
{63} normal block at 0x000001B52C7B6AC0, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B52C7B73D0, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B52C7B68E0, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B52C7B6D40, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B52C7B7330, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B52C7B72E0, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B52C7B6D90, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B52C7B7290, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B52C7B6840, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B52C7B6B10, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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