Task 38679895

Name test_627-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2240_0
Workunit 31621652
Created 26 Oct 2026, 22:08:05 UTC
Sent 26 Oct 2026, 22:08:06 UTC
Report deadline 31 Oct 2026, 22:08:06 UTC
Received 26 Oct 2026, 22:30:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627872
Run time 21 min 53 sec
CPU time 20 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.17 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:09:05 (52588): wrapper (7.9.26016): starting
23:09:05 (52588): 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
23:09:06 (52588): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:09:06 (52588): 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
23:30:10 (52588): C:/Windows/system32/cmd.exe exited; CPU time 1205.250000
23:30:10 (52588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 29381279 bytes.
Dumping objects ->
{3835263} normal block at 0x00000261C5E1B380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x00000261C5E1B310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000261C5E1B8C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x00000261C41730E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000261C4173070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x00000261C5DBB800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000261C41993D0, 180 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) : {3835174} normal block at 0x00000261C416DD60, 8 bytes long.
 Data: <  [&#196;a   > 00 00 5B C4 61 02 00 00 
{3834566} normal block at 0x00000261C41992E0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000261C416E800, 8 bytes long.
 Data: <0&#159;&#225;&#197;a   > 30 9F E1 C5 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000261C41665C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000261C4167650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000261C41737C0, 16 bytes long.
 Data: < J &#196;a           > 98 4A 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000261C4173770, 16 bytes long.
 Data: <pJ &#196;a           > 70 4A 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000261C416F640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000261C4173B30, 16 bytes long.
 Data: <HJ &#196;a           > 48 4A 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000261C41739A0, 16 bytes long.
 Data: < J &#196;a           > 20 4A 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000261C4173400, 16 bytes long.
 Data: <&#248;I &#196;a           > F8 49 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000261C4173AE0, 16 bytes long.
 Data: <&#208;I &#196;a           > D0 49 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000261C4172BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000261C4174120, 16 bytes long.
 Data: <(&#164; &#196;a           > 28 A4 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000261C416F4C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000261C4173CC0, 16 bytes long.
 Data: < &#164; &#196;a           > 00 A4 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000261C4173590, 16 bytes long.
 Data: <&#216;&#163; &#196;a           > D8 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000261C4173F40, 16 bytes long.
 Data: <&#176;&#163; &#196;a           > B0 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000261C4173540, 16 bytes long.
 Data: < &#163; &#196;a           > 88 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000261C41736D0, 16 bytes long.
 Data: <`&#163; &#196;a           > 60 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000261C41733B0, 16 bytes long.
 Data: <8&#163; &#196;a           > 38 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000261C416F9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000261C4174300, 16 bytes long.
 Data: < &#163; &#196;a           > 10 A3 16 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000261C416A310, 320 bytes long.
 Data: < C &#196;a   &#160;&#249; &#196;a   > 00 43 17 C4 61 02 00 00 A0 F9 16 C4 61 02 00 00 
{277} normal block at 0x00000261C4173630, 16 bytes long.
 Data: <&#176;I &#196;a           > B0 49 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000261C4173FE0, 16 bytes long.
 Data: < I &#196;a           > 88 49 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000261C416F460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000261C4173900, 16 bytes long.
 Data: <`I &#196;a           > 60 49 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000261C416F0A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000261C4173A90, 16 bytes long.
 Data: <&#168;H &#196;a           > A8 48 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000261C41734A0, 16 bytes long.
 Data: < H &#196;a           > 80 48 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000261C41734F0, 16 bytes long.
 Data: <XH &#196;a           > 58 48 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000261C4173950, 16 bytes long.
 Data: <0H &#196;a           > 30 48 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000261C4173C70, 16 bytes long.
 Data: < H &#196;a           > 08 48 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000261C4173C20, 16 bytes long.
 Data: <&#224;G &#196;a           > E0 47 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000261C4173BD0, 16 bytes long.
 Data: <&#160;2 &#196;a           > A0 32 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000261C41732A0, 40 bytes long.
 Data: <&#208;; &#196;a    &#184;&#219;&#197;a   > D0 3B 17 C4 61 02 00 00 00 B8 DB C5 61 02 00 00 
{263} normal block at 0x00000261C41742B0, 16 bytes long.
 Data: <&#192;G &#196;a           > C0 47 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000261C41739F0, 16 bytes long.
 Data: < G &#196;a           > 98 47 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000261C416F160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000261C4173720, 16 bytes long.
 Data: <pG &#196;a           > 70 47 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000261C4174770, 992 bytes long.
 Data: < 7 &#196;a   `&#241; &#196;a   > 20 37 17 C4 61 02 00 00 60 F1 16 C4 61 02 00 00 
{95} normal block at 0x00000261C416FA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000261C416E7B0, 16 bytes long.
 Data: < 0 &#196;a           > 00 30 17 C4 61 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000261C4173000, 40 bytes long.
 Data: <&#176;&#231; &#196;a    &#250; &#196;a   > B0 E7 16 C4 61 02 00 00 00 FA 16 C4 61 02 00 00 
{72} normal block at 0x00000261C416E170, 16 bytes long.
 Data: < &#234;&#200;&#210;&#247;           > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000261C416E620, 16 bytes long.
 Data: <@&#233;&#200;&#210;&#247;           > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000261C416DC70, 16 bytes long.
 Data: <&#248;W&#197;&#210;&#247;           > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000261C416EB70, 16 bytes long.
 Data: <&#216;W&#197;&#210;&#247;           > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000261C416EA30, 16 bytes long.
 Data: <P &#197;&#210;&#247;           > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000261C416E350, 16 bytes long.
 Data: <0 &#197;&#210;&#247;           > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000261C416E9E0, 16 bytes long.
 Data: <&#224; &#197;&#210;&#247;           > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000261C416DEF0, 16 bytes long.
 Data: <  &#197;&#210;&#247;           > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000261C416E8A0, 16 bytes long.
 Data: <p &#197;&#210;&#247;           > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000261C416EAD0, 16 bytes long.
 Data: < &#192;&#195;&#210;&#247;           > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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