Task 38681728

Name test_507-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9731_0
Workunit 31623382
Created 27 Oct 2026, 5:07:09 UTC
Sent 27 Oct 2026, 5:07:18 UTC
Report deadline 1 Nov 2026, 5:07:18 UTC
Received 27 Oct 2026, 17:30:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 34 min 46 sec
CPU time 34 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.55 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:54:49 (46968): wrapper (7.9.26016): starting
17:54:49 (46968): 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
17:54:51 (46968): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:54:51 (46968): 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\7\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\7\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
18:29:36 (46968): C:/Windows/system32/cmd.exe exited; CPU time 2086.093750
18:29:36 (46968): 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: 39645221 bytes.
Dumping objects ->
{3835277} normal block at 0x000001DAE90F3990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001DAE90F3220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001DAE90F31B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001DAE90F3920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001DAE7284B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001DAE9063B40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001DAE907ECB0, 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) : {3835188} normal block at 0x000001DAE727EC70, 8 bytes long.
 Data: <  "&#231;&#218;   > 00 00 22 E7 DA 01 00 00 
{3834564} normal block at 0x000001DAE907EE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001DAE727EF40, 8 bytes long.
 Data: <&#176;&#174;*&#231;&#218;   > B0 AE 2A E7 DA 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001DAE7281230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DAE726F510, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001DAE7285900, 16 bytes long.
 Data: <&#200;c(&#231;&#218;           > C8 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DAE7285590, 16 bytes long.
 Data: <&#160;c(&#231;&#218;           > A0 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DAE727FD80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001DAE7286030, 16 bytes long.
 Data: <xc(&#231;&#218;           > 78 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DAE72856D0, 16 bytes long.
 Data: <Pc(&#231;&#218;           > 50 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DAE7285B30, 16 bytes long.
 Data: <(c(&#231;&#218;           > 28 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DAE7285F40, 16 bytes long.
 Data: < c(&#231;&#218;           > 00 63 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DAE7284BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001DAE7285BD0, 16 bytes long.
 Data: <&#184;&#181;&&#231;&#218;           > B8 B5 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DAE727FE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001DAE7285E00, 16 bytes long.
 Data: < &#181;&&#231;&#218;           > 90 B5 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DAE7285540, 16 bytes long.
 Data: <h&#181;&&#231;&#218;           > 68 B5 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DAE7285220, 16 bytes long.
 Data: <@&#181;&&#231;&#218;           > 40 B5 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DAE72854F0, 16 bytes long.
 Data: < &#181;&&#231;&#218;           > 18 B5 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DAE72853B0, 16 bytes long.
 Data: <&#240;&#180;&&#231;&#218;           > F0 B4 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DAE7285F90, 16 bytes long.
 Data: <&#200;&#180;&&#231;&#218;           > C8 B4 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DAE72801A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001DAE7285360, 16 bytes long.
 Data: <&#160;&#180;&&#231;&#218;           > A0 B4 26 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DAE726B4A0, 320 bytes long.
 Data: <`S(&#231;&#218;   &#160; (&#231;&#218;   > 60 53 28 E7 DA 01 00 00 A0 01 28 E7 DA 01 00 00 
{275} normal block at 0x000001DAE72854A0, 16 bytes long.
 Data: <&#224;b(&#231;&#218;           > E0 62 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DAE7285EF0, 16 bytes long.
 Data: <&#184;b(&#231;&#218;           > B8 62 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DAE727F600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001DAE7285D60, 16 bytes long.
 Data: < b(&#231;&#218;           > 90 62 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DAE7280140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001DAE7285FE0, 16 bytes long.
 Data: <&#216;a(&#231;&#218;           > D8 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DAE7285EA0, 16 bytes long.
 Data: <&#176;a(&#231;&#218;           > B0 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DAE72851D0, 16 bytes long.
 Data: < a(&#231;&#218;           > 88 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DAE7285450, 16 bytes long.
 Data: <`a(&#231;&#218;           > 60 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DAE7285400, 16 bytes long.
 Data: <8a(&#231;&#218;           > 38 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DAE72859A0, 16 bytes long.
 Data: < a(&#231;&#218;           > 10 61 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DAE7285310, 16 bytes long.
 Data: <&#208;D(&#231;&#218;           > D0 44 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DAE72844D0, 40 bytes long.
 Data: < S(&#231;&#218;   @; &#233;&#218;   > 10 53 28 E7 DA 01 00 00 40 3B 06 E9 DA 01 00 00 
{261} normal block at 0x000001DAE7285E50, 16 bytes long.
 Data: <&#240;`(&#231;&#218;           > F0 60 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DAE7285680, 16 bytes long.
 Data: <&#200;`(&#231;&#218;           > C8 60 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DAE727FC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001DAE72858B0, 16 bytes long.
 Data: <&#160;`(&#231;&#218;           > A0 60 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DAE72860A0, 992 bytes long.
 Data: <&#176;X(&#231;&#218;    &#252;'&#231;&#218;   > B0 58 28 E7 DA 01 00 00 00 FC 27 E7 DA 01 00 00 
{93} normal block at 0x000001DAE727F5A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001DAE727F1C0, 16 bytes long.
 Data: < G(&#231;&#218;           > 00 47 28 E7 DA 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001DAE7284700, 40 bytes long.
 Data: <&#192;&#241;'&#231;&#218;   &#160;&#245;'&#231;&#218;   > C0 F1 27 E7 DA 01 00 00 A0 F5 27 E7 DA 01 00 00 
{70} normal block at 0x000001DAE727F120, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DAE727EE00, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DAE727F3A0, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DAE727F0D0, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DAE727F170, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DAE727E590, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DAE727EEF0, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DAE727E9A0, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DAE727F3F0, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DAE727EC20, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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