Task 38646392

Name test_504-GPUGRID_TEST_ATM_1000_20261023-0-1-RND2290_0
Workunit 31591341
Created 23 Oct 2026, 16:34:51 UTC
Sent 23 Oct 2026, 17:22:40 UTC
Report deadline 28 Oct 2026, 17:22:40 UTC
Received 23 Oct 2026, 17:49:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 23 min 58 sec
CPU time 20 min 47 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.12 MB
Peak swap size 6.94 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:26:35 (21844): wrapper (7.9.26016): starting
19:26:35 (21844): 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
19:26:36 (21844): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:26:36 (21844): 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\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 'C:\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
19:49:08 (21844): C:/Windows/system32/cmd.exe exited; CPU time 1247.390625
19:49:08 (21844): 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: 22517791 bytes.
Dumping objects ->
{3835270} normal block at 0x00000236459EDB40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000236459EDC20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000236459EDC90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000236459EE8D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000236459EE240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002364756EA10, 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) : {3835182} normal block at 0x00000236459BFDA0, 8 bytes long.
 Data: <  &#207;E6   > 00 00 CF 45 36 02 00 00 
{3833969} normal block at 0x00000236459C0480, 8 bytes long.
 Data: <p&#159;&#156;E6   > 70 9F 9C 45 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000236459BDC10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000236459B64D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000236459CA900, 16 bytes long.
 Data: <(&#184;&#156;E6           > 28 B8 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000236459CAA40, 16 bytes long.
 Data: < &#184;&#156;E6           > 00 B8 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000236459C4990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000236459CA720, 16 bytes long.
 Data: <&#216;&#183;&#156;E6           > D8 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000236459CB350, 16 bytes long.
 Data: <&#176;&#183;&#156;E6           > B0 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000236459CAD10, 16 bytes long.
 Data: < &#183;&#156;E6           > 88 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236459CAFE0, 16 bytes long.
 Data: <`&#183;&#156;E6           > 60 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000236459C5370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000236459CB490, 16 bytes long.
 Data: <&#184;b&#156;E6           > B8 62 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000236459C4390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000236459CA680, 16 bytes long.
 Data: < b&#156;E6           > 90 62 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000236459CB3A0, 16 bytes long.
 Data: <hb&#156;E6           > 68 62 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000236459CA810, 16 bytes long.
 Data: <@b&#156;E6           > 40 62 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000236459CAF90, 16 bytes long.
 Data: < b&#156;E6           > 18 62 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236459CB300, 16 bytes long.
 Data: <&#240;a&#156;E6           > F0 61 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236459CA9F0, 16 bytes long.
 Data: <&#200;a&#156;E6           > C8 61 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236459C4630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000236459CAB80, 16 bytes long.
 Data: <&#160;a&#156;E6           > A0 61 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000236459C61A0, 320 bytes long.
 Data: < &#171;&#156;E6   0F&#156;E6   > 80 AB 9C 45 36 02 00 00 30 46 9C 45 36 02 00 00 
{280} normal block at 0x00000236459CA9A0, 16 bytes long.
 Data: <@&#183;&#156;E6           > 40 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000236459CB440, 16 bytes long.
 Data: < &#183;&#156;E6           > 18 B7 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236459C43F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000236459CB2B0, 16 bytes long.
 Data: <&#240;&#182;&#156;E6           > F0 B6 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236459C45D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000236459CB3F0, 16 bytes long.
 Data: <8&#182;&#156;E6           > 38 B6 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000236459CAD60, 16 bytes long.
 Data: < &#182;&#156;E6           > 10 B6 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236459CA630, 16 bytes long.
 Data: <&#232;&#181;&#156;E6           > E8 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000236459CAEA0, 16 bytes long.
 Data: <&#192;&#181;&#156;E6           > C0 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236459CAEF0, 16 bytes long.
 Data: < &#181;&#156;E6           > 98 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000236459CAF40, 16 bytes long.
 Data: <p&#181;&#156;E6           > 70 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000236459CA8B0, 16 bytes long.
 Data: < R&#156;E6           > 20 52 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236459C5220, 40 bytes long.
 Data: <&#176;&#168;&#156;E6    &#234;VG6   > B0 A8 9C 45 36 02 00 00 10 EA 56 47 36 02 00 00 
{266} normal block at 0x00000236459CAB30, 16 bytes long.
 Data: <P&#181;&#156;E6           > 50 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000236459CAAE0, 16 bytes long.
 Data: <(&#181;&#156;E6           > 28 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236459C42D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000236459CA540, 16 bytes long.
 Data: < &#181;&#156;E6           > 00 B5 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000236459CB500, 992 bytes long.
 Data: <@&#165;&#156;E6   &#208;B&#156;E6   > 40 A5 9C 45 36 02 00 00 D0 42 9C 45 36 02 00 00 
{98} normal block at 0x00000236459C4750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000236459BFD00, 16 bytes long.
 Data: <0N&#156;E6           > 30 4E 9C 45 36 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000236459C4E30, 40 bytes long.
 Data: < &#253;&#155;E6   PG&#156;E6   > 00 FD 9B 45 36 02 00 00 50 47 9C 45 36 02 00 00 
{75} normal block at 0x00000236459C0890, 16 bytes long.
 Data: < &#234;}&#234;&#246;           > 80 EA 7D EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000236459C0160, 16 bytes long.
 Data: <@&#233;}&#234;&#246;           > 40 E9 7D EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000236459C0200, 16 bytes long.
 Data: <&#248;Wz&#234;&#246;           > F8 57 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000236459C03E0, 16 bytes long.
 Data: <&#216;Wz&#234;&#246;           > D8 57 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000236459C0070, 16 bytes long.
 Data: <P z&#234;&#246;           > 50 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000236459C0750, 16 bytes long.
 Data: <0 z&#234;&#246;           > 30 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000236459C0110, 16 bytes long.
 Data: <&#224; z&#234;&#246;           > E0 02 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000236459C0430, 16 bytes long.
 Data: <  z&#234;&#246;           > 10 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000236459C01B0, 16 bytes long.
 Data: <p z&#234;&#246;           > 70 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236459C0340, 16 bytes long.
 Data: < &#192;x&#234;&#246;           > 18 C0 78 EA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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