Task 38686243

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5467_0
Workunit 31627681
Created 28 Oct 2026, 1:31:38 UTC
Sent 28 Oct 2026, 1:31:39 UTC
Report deadline 2 Nov 2026, 1:31:39 UTC
Received 28 Oct 2026, 1:59:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 26 min 54 sec
CPU time 24 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.27 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:33:10 (604): wrapper (7.9.26016): starting
02:33:10 (604): 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
02:33:11 (604): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:11 (604): 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\4\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\4\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
02:59:05 (604): C:/Windows/system32/cmd.exe exited; CPU time 1494.640625
02:59:05 (604): 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: 25257375 bytes.
Dumping objects ->
{3835601} normal block at 0x000002090E2403E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000002090E240760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x000002090E23F9D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x000002090E2404C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x000002090C4E4810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x000002090E2B8300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000002090E2CED30, 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) : {3835512} normal block at 0x000002090C4DF4D0, 8 bytes long.
 Data: <  &#254; 	   > 00 00 FE 0D 09 02 00 00 
{3834713} normal block at 0x000002090E2CEFF0, 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 0x000002090C4DE8F0, 8 bytes long.
 Data: < Y4 	   > 90 59 34 0E 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002090C4E1180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002090C4D69B0, 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 0x000002090C4E5BE0, 16 bytes long.
 Data: <hgN 	           > 68 67 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002090C4E54B0, 16 bytes long.
 Data: <@gN 	           > 40 67 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002090C4E00D0, 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 0x000002090C4E5410, 16 bytes long.
 Data: < gN 	           > 18 67 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002090C4E5460, 16 bytes long.
 Data: <&#240;fN 	           > F0 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002090C4E5F00, 16 bytes long.
 Data: <&#200;fN 	           > C8 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002090C4E5370, 16 bytes long.
 Data: <&#160;fN 	           > A0 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002090C4E4880, 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 0x000002090C4E5EB0, 16 bytes long.
 Data: < &#230;M 	           > 18 E6 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002090C4E0070, 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 0x000002090C4E5320, 16 bytes long.
 Data: <&#240;&#229;M 	           > F0 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002090C4E53C0, 16 bytes long.
 Data: <&#200;&#229;M 	           > C8 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002090C4E5DC0, 16 bytes long.
 Data: <&#160;&#229;M 	           > A0 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002090C4E5C80, 16 bytes long.
 Data: <x&#229;M 	           > 78 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002090C4E5960, 16 bytes long.
 Data: <P&#229;M 	           > 50 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002090C4E6130, 16 bytes long.
 Data: <(&#229;M 	           > 28 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002090C4E0370, 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 0x000002090C4E60E0, 16 bytes long.
 Data: < &#229;M 	           > 00 E5 4D 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002090C4DE500, 320 bytes long.
 Data: <&#224;`N 	   p N 	   > E0 60 4E 0C 09 02 00 00 70 03 4E 0C 09 02 00 00 
{276} normal block at 0x000002090C4E5E10, 16 bytes long.
 Data: < fN 	           > 80 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002090C4E5D20, 16 bytes long.
 Data: <XfN 	           > 58 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002090C4DFE90, 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 0x000002090C4E58C0, 16 bytes long.
 Data: <0fN 	           > 30 66 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002090C4DF890, 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 0x000002090C4E5780, 16 bytes long.
 Data: <xeN 	           > 78 65 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002090C4E52D0, 16 bytes long.
 Data: <PeN 	           > 50 65 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002090C4E5B90, 16 bytes long.
 Data: <(eN 	           > 28 65 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002090C4E5E60, 16 bytes long.
 Data: < eN 	           > 00 65 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002090C4E56E0, 16 bytes long.
 Data: <&#216;dN 	           > D8 64 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002090C4E5550, 16 bytes long.
 Data: <&#176;dN 	           > B0 64 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002090C4E5B40, 16 bytes long.
 Data: <&#208;IN 	           > D0 49 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002090C4E49D0, 40 bytes long.
 Data: <@[N 	     + 	   > 40 5B 4E 0C 09 02 00 00 00 83 2B 0E 09 02 00 00 
{262} normal block at 0x000002090C4E6090, 16 bytes long.
 Data: < dN 	           > 90 64 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002090C4E6220, 16 bytes long.
 Data: <hdN 	           > 68 64 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002090C4DFA70, 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 0x000002090C4E5690, 16 bytes long.
 Data: <@dN 	           > 40 64 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002090C4E6440, 992 bytes long.
 Data: < VN 	   p&#250;M 	   > 90 56 4E 0C 09 02 00 00 70 FA 4D 0C 09 02 00 00 
{94} normal block at 0x000002090C4E0310, 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 0x000002090C4DF3E0, 16 bytes long.
 Data: <&#224;LN 	           > E0 4C 4E 0C 09 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002090C4E4CE0, 40 bytes long.
 Data: <&#224;&#243;M 	     N 	   > E0 F3 4D 0C 09 02 00 00 10 03 4E 0C 09 02 00 00 
{71} normal block at 0x000002090C4DE940, 16 bytes long.
 Data: < &#234;z &#246;           > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002090C4DEC60, 16 bytes long.
 Data: <@&#233;z &#246;           > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002090C4DF430, 16 bytes long.
 Data: <&#248;Ww &#246;           > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002090C4DF390, 16 bytes long.
 Data: <&#216;Ww &#246;           > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002090C4DF5C0, 16 bytes long.
 Data: <P w &#246;           > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002090C4DE990, 16 bytes long.
 Data: <0 w &#246;           > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002090C4DF480, 16 bytes long.
 Data: <&#224; w &#246;           > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002090C4DEF80, 16 bytes long.
 Data: <  w &#246;           > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002090C4DF2A0, 16 bytes long.
 Data: <p w &#246;           > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002090C4DF250, 16 bytes long.
 Data: < &#192;u &#246;           > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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