Task 38668569

Name test_119-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3550_0
Workunit 31611059
Created 25 Oct 2026, 12:08:57 UTC
Sent 25 Oct 2026, 12:09:08 UTC
Report deadline 30 Oct 2026, 12:09:08 UTC
Received 25 Oct 2026, 13:05:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 47 sec
CPU time 32 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.67 MB
Peak swap size 3.54 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:32:18 (12976): wrapper (7.9.26016): starting
20:32:18 (12976): 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
20:32:20 (12976): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:32:20 (12976): 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 'D:\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 'D:\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
21:05:11 (12976): C:/Windows/system32/cmd.exe exited; CPU time 1954.515625
21:05:11 (12976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25648609 bytes.
Dumping objects ->
{3835056} normal block at 0x000002339F057F00, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x000002339F0582F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x000002339F0586E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x000002339F057C60, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x000002339D52D710, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x000002339EFFCE50, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x000002339D52A870, 200 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) : {3834967} normal block at 0x000002339D529230, 8 bytes long.
 Data: <  O 3   > 00 00 4F 9D 33 02 00 00 
{3834466} normal block at 0x000002339D52B750, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002339D529000, 8 bytes long.
 Data: <@L&#242;&#158;3   > 40 4C F2 9E 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002339D533330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002339D529C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002339D534640, 16 bytes long.
 Data: <hUS 3           > 68 55 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002339D5342D0, 16 bytes long.
 Data: <@US 3           > 40 55 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002339D52E970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002339D534A50, 16 bytes long.
 Data: < US 3           > 18 55 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002339D534BE0, 16 bytes long.
 Data: <&#240;TS 3           > F0 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002339D534910, 16 bytes long.
 Data: <&#200;TS 3           > C8 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002339D534EB0, 16 bytes long.
 Data: <&#160;TS 3           > A0 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002339D52D550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002339D5349B0, 16 bytes long.
 Data: <8&#206;Q 3           > 38 CE 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002339D52EAF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002339D5345F0, 16 bytes long.
 Data: < &#206;Q 3           > 10 CE 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002339D534E60, 16 bytes long.
 Data: <&#232;&#205;Q 3           > E8 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002339D534460, 16 bytes long.
 Data: <&#192;&#205;Q 3           > C0 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002339D534690, 16 bytes long.
 Data: < &#205;Q 3           > 98 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002339D534AF0, 16 bytes long.
 Data: <p&#205;Q 3           > 70 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002339D534E10, 16 bytes long.
 Data: <H&#205;Q 3           > 48 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002339D52EF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000002339D5345A0, 16 bytes long.
 Data: < &#205;Q 3           > 20 CD 51 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002339D51CD20, 320 bytes long.
 Data: <&#160;ES 3    &#239;R 3   > A0 45 53 9D 33 02 00 00 10 EF 52 9D 33 02 00 00 
{267} normal block at 0x000002339D534FF0, 16 bytes long.
 Data: < TS 3           > 80 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002339D534730, 16 bytes long.
 Data: <XTS 3           > 58 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002339D52F690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002339D534280, 16 bytes long.
 Data: <0TS 3           > 30 54 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002339D52EA90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002339D5348C0, 16 bytes long.
 Data: <xSS 3           > 78 53 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002339D5350E0, 16 bytes long.
 Data: <PSS 3           > 50 53 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002339D535040, 16 bytes long.
 Data: <(SS 3           > 28 53 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002339D534870, 16 bytes long.
 Data: < SS 3           > 00 53 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002339D534960, 16 bytes long.
 Data: <&#216;RS 3           > D8 52 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002339D534C80, 16 bytes long.
 Data: <&#176;RS 3           > B0 52 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002339D534DC0, 16 bytes long.
 Data: <&#224;&#219;R 3           > E0 DB 52 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002339D52DBE0, 40 bytes long.
 Data: <&#192;MS 3   P&#206;&#255;&#158;3   > C0 4D 53 9D 33 02 00 00 50 CE FF 9E 33 02 00 00 
{253} normal block at 0x000002339D534CD0, 16 bytes long.
 Data: < RS 3           > 90 52 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002339D5351D0, 16 bytes long.
 Data: <hRS 3           > 68 52 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002339D52EF70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002339D534370, 16 bytes long.
 Data: <@RS 3           > 40 52 53 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002339D535240, 992 bytes long.
 Data: <pCS 3   p&#239;R 3   > 70 43 53 9D 33 02 00 00 70 EF 52 9D 33 02 00 00 
{85} normal block at 0x000002339D52F150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002339D528F60, 16 bytes long.
 Data: <&#240;&#215;R 3           > F0 D7 52 9D 33 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002339D52D7F0, 40 bytes long.
 Data: <` R 3   P&#241;R 3   > 60 8F 52 9D 33 02 00 00 50 F1 52 9D 33 02 00 00 
{62} normal block at 0x000002339D5295A0, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002339D529320, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002339D5290F0, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002339D528880, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002339D528EC0, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002339D5287E0, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002339D528FB0, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002339D528790, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002339D529410, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002339D528BF0, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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