Task 38690324

Name test_853-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0316_0
Workunit 31631479
Created 29 Oct 2026, 4:14:52 UTC
Sent 29 Oct 2026, 4:14:54 UTC
Report deadline 3 Nov 2026, 4:14:54 UTC
Received 29 Oct 2026, 4:36:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652497
Run time 21 min
CPU time 15 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.89 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:15:48 (30124): wrapper (7.9.26016): starting
23:15:48 (30124): 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
23:15:49 (30124): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:15:49 (30124): 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\32\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\32\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
23:36:01 (30124): C:/Windows/system32/cmd.exe exited; CPU time 950.281250
23:36:01 (30124): 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: 23048367 bytes.
Dumping objects ->
{3835193} normal block at 0x000001B220BFCEE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001B220BFCB60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x000001B220BFD570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000001B220BFD500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001B220BFCCB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x000001B2229DBFB0, 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) : {3835105} normal block at 0x000001B220BECEF0, 8 bytes long.
 Data: <   !&#178;   > 00 00 0F 21 B2 01 00 00 
{3833951} normal block at 0x000001B220BED120, 8 bytes long.
 Data: <@&#234;&#142;"&#178;   > 40 EA 8E 22 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001B220BEDF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B220BE9E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001B220BFDE00, 16 bytes long.
 Data: < &#238;&#191; &#178;           > 18 EE BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B220BFDB80, 16 bytes long.
 Data: <&#240;&#237;&#191; &#178;           > F0 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B220BFA370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001B220BFDB30, 16 bytes long.
 Data: <&#200;&#237;&#191; &#178;           > C8 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B220BFE8F0, 16 bytes long.
 Data: <&#160;&#237;&#191; &#178;           > A0 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B220BFE8A0, 16 bytes long.
 Data: <x&#237;&#191; &#178;           > 78 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B220BFE850, 16 bytes long.
 Data: <P&#237;&#191; &#178;           > 50 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B220BF9DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001B220BFE800, 16 bytes long.
 Data: <8&#186;&#190; &#178;           > 38 BA BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B220BFA2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001B220BFE760, 16 bytes long.
 Data: < &#186;&#190; &#178;           > 10 BA BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B220BFEA80, 16 bytes long.
 Data: <&#232;&#185;&#190; &#178;           > E8 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B220BFE710, 16 bytes long.
 Data: <&#192;&#185;&#190; &#178;           > C0 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B220BFE350, 16 bytes long.
 Data: < &#185;&#190; &#178;           > 98 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B220BFE2B0, 16 bytes long.
 Data: <p&#185;&#190; &#178;           > 70 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B220BFE490, 16 bytes long.
 Data: <H&#185;&#190; &#178;           > 48 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B220BFA490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001B220BFE0D0, 16 bytes long.
 Data: < &#185;&#190; &#178;           > 20 B9 BE 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B220BEB920, 320 bytes long.
 Data: <&#208;&#224;&#191; &#178;    &#164;&#191; &#178;   > D0 E0 BF 20 B2 01 00 00 90 A4 BF 20 B2 01 00 00 
{271} normal block at 0x000001B220BFE940, 16 bytes long.
 Data: <0&#237;&#191; &#178;           > 30 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B220BFDF40, 16 bytes long.
 Data: < &#237;&#191; &#178;           > 08 ED BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B220BFA790, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001B220BFDEF0, 16 bytes long.
 Data: <&#224;&#236;&#191; &#178;           > E0 EC BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B220BFA670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001B220BFE620, 16 bytes long.
 Data: <(&#236;&#191; &#178;           > 28 EC BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B220BFE7B0, 16 bytes long.
 Data: < &#236;&#191; &#178;           > 00 EC BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B220BFE5D0, 16 bytes long.
 Data: <&#216;&#235;&#191; &#178;           > D8 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B220BFEA30, 16 bytes long.
 Data: <&#176;&#235;&#191; &#178;           > B0 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B220BFE3A0, 16 bytes long.
 Data: < &#235;&#191; &#178;           > 88 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B220BFE580, 16 bytes long.
 Data: <`&#235;&#191; &#178;           > 60 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B220BFE6C0, 16 bytes long.
 Data: <`&#156;&#191; &#178;           > 60 9C BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B220BF9C60, 40 bytes long.
 Data: <&#192;&#230;&#191; &#178;   &#176;&#191; "&#178;   > C0 E6 BF 20 B2 01 00 00 B0 BF 9D 22 B2 01 00 00 
{257} normal block at 0x000001B220BFE300, 16 bytes long.
 Data: <@&#235;&#191; &#178;           > 40 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B220BFE670, 16 bytes long.
 Data: < &#235;&#191; &#178;           > 18 EB BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B220BFA310, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001B220BFE030, 16 bytes long.
 Data: <&#240;&#234;&#191; &#178;           > F0 EA BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B220BFEAF0, 992 bytes long.
 Data: <0&#224;&#191; &#178;    &#163;&#191; &#178;   > 30 E0 BF 20 B2 01 00 00 10 A3 BF 20 B2 01 00 00 
{89} normal block at 0x000001B220BFA010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001B220BED260, 16 bytes long.
 Data: <&#208;&#156;&#191; &#178;           > D0 9C BF 20 B2 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001B220BF9CD0, 40 bytes long.
 Data: <`&#210;&#190; &#178;    &#160;&#191; &#178;   > 60 D2 BE 20 B2 01 00 00 10 A0 BF 20 B2 01 00 00 
{66} normal block at 0x000001B220BECC20, 16 bytes long.
 Data: < &#234;/&#232;&#246;           > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B220BEC590, 16 bytes long.
 Data: <@&#233;/&#232;&#246;           > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B220BECCC0, 16 bytes long.
 Data: <&#248;W,&#232;&#246;           > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B220BED0D0, 16 bytes long.
 Data: <&#216;W,&#232;&#246;           > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B220BEC680, 16 bytes long.
 Data: <P ,&#232;&#246;           > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B220BEC860, 16 bytes long.
 Data: <0 ,&#232;&#246;           > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B220BEC5E0, 16 bytes long.
 Data: <&#224; ,&#232;&#246;           > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B220BED030, 16 bytes long.
 Data: <  ,&#232;&#246;           > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B220BEC7C0, 16 bytes long.
 Data: <p ,&#232;&#246;           > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B220BEC770, 16 bytes long.
 Data: < &#192;*&#232;&#246;           > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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