Task 38684430

Name test_372-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5678_0
Workunit 31625945
Created 27 Oct 2026, 16:18:38 UTC
Sent 27 Oct 2026, 16:18:43 UTC
Report deadline 1 Nov 2026, 16:18:43 UTC
Received 27 Oct 2026, 17:18:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 24 min 5 sec
CPU time 24 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.18 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:50:46 (21144): wrapper (7.9.26016): starting
16:50:46 (21144): 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
16:50:48 (21144): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:50:48 (21144): 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\61\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\61\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
17:16:19 (21144): C:/Windows/system32/cmd.exe exited; CPU time 1445.125000
17:16:19 (21144): 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: 28457989 bytes.
Dumping objects ->
{3835192} normal block at 0x000002E5A73DD140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002E5A73DC960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000002E5A73DC9D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000002E5A56C4BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002E5A56C4710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000002E5A742AF50, 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) : {3835104} normal block at 0x000002E5A56C00D0, 8 bytes long.
 Data: <  &#194;&#165;&#229;   > 00 00 C2 A5 E5 02 00 00 
{3833961} normal block at 0x000002E5A56C0210, 8 bytes long.
 Data: <0DH&#167;&#229;   > 30 44 48 A7 E5 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002E5A56B60D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002E5A56B7640, 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 0x000002E5A56C5DF0, 16 bytes long.
 Data: < el&#165;&#229;           > 98 65 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E5A56C55D0, 16 bytes long.
 Data: <pel&#165;&#229;           > 70 65 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002E5A56C1500, 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 0x000002E5A56C6110, 16 bytes long.
 Data: <Hel&#165;&#229;           > 48 65 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E5A56C5FD0, 16 bytes long.
 Data: < el&#165;&#229;           > 20 65 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E5A56C5D00, 16 bytes long.
 Data: <&#248;dl&#165;&#229;           > F8 64 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E5A56C58A0, 16 bytes long.
 Data: <&#208;dl&#165;&#229;           > D0 64 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002E5A56C4860, 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 0x000002E5A56C5530, 16 bytes long.
 Data: < &#249;j&#165;&#229;           > 88 F9 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E5A56C0A80, 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 0x000002E5A56C5F80, 16 bytes long.
 Data: <`&#249;j&#165;&#229;           > 60 F9 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E5A56C5F30, 16 bytes long.
 Data: <8&#249;j&#165;&#229;           > 38 F9 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E5A56C57B0, 16 bytes long.
 Data: < &#249;j&#165;&#229;           > 10 F9 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E5A56C5940, 16 bytes long.
 Data: <&#232;&#248;j&#165;&#229;           > E8 F8 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E5A56C5C10, 16 bytes long.
 Data: <&#192;&#248;j&#165;&#229;           > C0 F8 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E5A56C5DA0, 16 bytes long.
 Data: < &#248;j&#165;&#229;           > 98 F8 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E5A56C0D20, 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 0x000002E5A56C5440, 16 bytes long.
 Data: <p&#248;j&#165;&#229;           > 70 F8 6A A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E5A56AF870, 320 bytes long.
 Data: <@Tl&#165;&#229;     l&#165;&#229;   > 40 54 6C A5 E5 02 00 00 20 0D 6C A5 E5 02 00 00 
{276} normal block at 0x000002E5A56C6070, 16 bytes long.
 Data: <&#176;dl&#165;&#229;           > B0 64 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E5A56C5710, 16 bytes long.
 Data: < dl&#165;&#229;           > 88 64 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002E5A56C0840, 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 0x000002E5A56C5E90, 16 bytes long.
 Data: <`dl&#165;&#229;           > 60 64 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E5A56C11A0, 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 0x000002E5A56C5850, 16 bytes long.
 Data: <&#168;cl&#165;&#229;           > A8 63 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E5A56C53F0, 16 bytes long.
 Data: < cl&#165;&#229;           > 80 63 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E5A56C5C60, 16 bytes long.
 Data: <Xcl&#165;&#229;           > 58 63 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E5A56C5EE0, 16 bytes long.
 Data: <0cl&#165;&#229;           > 30 63 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E5A56C5D50, 16 bytes long.
 Data: < cl&#165;&#229;           > 08 63 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E5A56C54E0, 16 bytes long.
 Data: <&#224;bl&#165;&#229;           > E0 62 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E5A56C5B70, 16 bytes long.
 Data: <PLl&#165;&#229;           > 50 4C 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002E5A56C4C50, 40 bytes long.
 Data: <p[l&#165;&#229;   P&#175;B&#167;&#229;   > 70 5B 6C A5 E5 02 00 00 50 AF 42 A7 E5 02 00 00 
{262} normal block at 0x000002E5A56C60C0, 16 bytes long.
 Data: <&#192;bl&#165;&#229;           > C0 62 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E5A56C5B20, 16 bytes long.
 Data: < bl&#165;&#229;           > 98 62 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E5A56C15C0, 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 0x000002E5A56C5AD0, 16 bytes long.
 Data: <pbl&#165;&#229;           > 70 62 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E5A56C6270, 992 bytes long.
 Data: <&#208;Zl&#165;&#229;   &#192; l&#165;&#229;   > D0 5A 6C A5 E5 02 00 00 C0 15 6C A5 E5 02 00 00 
{94} normal block at 0x000002E5A56C1560, 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 0x000002E5A56C0080, 16 bytes long.
 Data: <@Il&#165;&#229;           > 40 49 6C A5 E5 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002E5A56C4940, 40 bytes long.
 Data: <  l&#165;&#229;   ` l&#165;&#229;   > 80 00 6C A5 E5 02 00 00 60 15 6C A5 E5 02 00 00 
{71} normal block at 0x000002E5A56BFE00, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E5A56BFA40, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E5A56C0030, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E5A56BFB30, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E5A56C0350, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E5A56C01C0, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E5A56BFFE0, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E5A56BF9A0, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E5A56BFA90, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002E5A56BFDB0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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