Task 38665012

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND3331_0
Workunit 31608133
Created 25 Oct 2026, 0:30:20 UTC
Sent 25 Oct 2026, 0:33:01 UTC
Report deadline 30 Oct 2026, 0:33:01 UTC
Received 25 Oct 2026, 8:11:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 22 min 42 sec
CPU time 21 min 39 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 748.33 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:48:57 (37408): wrapper (7.9.26016): starting
03:48:57 (37408): 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
03:48:58 (37408): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:48:58 (37408): 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\16\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\16\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
04:10:48 (37408): C:/Windows/system32/cmd.exe exited; CPU time 1299.015625
04:10:48 (37408): 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: 29036055 bytes.
Dumping objects ->
{3835437} normal block at 0x000001CF6D4CD8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001CF6B8456C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001CF6B8455E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x000001CF6B8458F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001CF6B8452D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000001CF6D51A9F0, 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) : {3835349} normal block at 0x000001CF6B840770, 8 bytes long.
 Data: <  |k&#207;   > 00 00 7C 6B CF 01 00 00 
{3833965} normal block at 0x000001CF6B840630, 8 bytes long.
 Data: <pGWm&#207;   > 70 47 57 6D CF 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CF6B842630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CF6B836710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001CF6B846070, 16 bytes long.
 Data: <&#200;q&#132;k&#207;           > C8 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CF6B846700, 16 bytes long.
 Data: <&#160;q&#132;k&#207;           > A0 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CF6B83E710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001CF6B8463E0, 16 bytes long.
 Data: <xq&#132;k&#207;           > 78 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CF6B846B10, 16 bytes long.
 Data: <Pq&#132;k&#207;           > 50 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CF6B8460C0, 16 bytes long.
 Data: <(q&#132;k&#207;           > 28 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CF6B846390, 16 bytes long.
 Data: < q&#132;k&#207;           > 00 71 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CF6B8457A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001CF6B846340, 16 bytes long.
 Data: <(&#245;&#130;k&#207;           > 28 F5 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CF6B83E290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001CF6B845FD0, 16 bytes long.
 Data: < &#245;&#130;k&#207;           > 00 F5 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CF6B846C00, 16 bytes long.
 Data: <&#216;&#244;&#130;k&#207;           > D8 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CF6B846E30, 16 bytes long.
 Data: <&#176;&#244;&#130;k&#207;           > B0 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CF6B846D90, 16 bytes long.
 Data: < &#244;&#130;k&#207;           > 88 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CF6B846D40, 16 bytes long.
 Data: <`&#244;&#130;k&#207;           > 60 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CF6B8462A0, 16 bytes long.
 Data: <8&#244;&#130;k&#207;           > 38 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CF6B83DF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001CF6B846250, 16 bytes long.
 Data: < &#244;&#130;k&#207;           > 10 F4 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CF6B82F410, 320 bytes long.
 Data: <Pb&#132;k&#207;    &#223;&#131;k&#207;   > 50 62 84 6B CF 01 00 00 90 DF 83 6B CF 01 00 00 
{278} normal block at 0x000001CF6B845F80, 16 bytes long.
 Data: <&#224;p&#132;k&#207;           > E0 70 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CF6B846DE0, 16 bytes long.
 Data: <&#184;p&#132;k&#207;           > B8 70 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CF6B83DCF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001CF6B846200, 16 bytes long.
 Data: < p&#132;k&#207;           > 90 70 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CF6B83E590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001CF6B846110, 16 bytes long.
 Data: <&#216;o&#132;k&#207;           > D8 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CF6B846160, 16 bytes long.
 Data: <&#176;o&#132;k&#207;           > B0 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CF6B846CA0, 16 bytes long.
 Data: < o&#132;k&#207;           > 88 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CF6B845F30, 16 bytes long.
 Data: <`o&#132;k&#207;           > 60 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CF6B846AC0, 16 bytes long.
 Data: <8o&#132;k&#207;           > 38 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CF6B845EE0, 16 bytes long.
 Data: < o&#132;k&#207;           > 10 6F 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CF6B846020, 16 bytes long.
 Data: <&#208;Y&#132;k&#207;           > D0 59 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CF6B8459D0, 40 bytes long.
 Data: < `&#132;k&#207;   &#240;&#169;Qm&#207;   > 20 60 84 6B CF 01 00 00 F0 A9 51 6D CF 01 00 00 
{264} normal block at 0x000001CF6B8468E0, 16 bytes long.
 Data: <&#240;n&#132;k&#207;           > F0 6E 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CF6B8462F0, 16 bytes long.
 Data: <&#200;n&#132;k&#207;           > C8 6E 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CF6B83E650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001CF6B846B60, 16 bytes long.
 Data: <&#160;n&#132;k&#207;           > A0 6E 84 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CF6B846EA0, 992 bytes long.
 Data: <`k&#132;k&#207;   P&#230;&#131;k&#207;   > 60 6B 84 6B CF 01 00 00 50 E6 83 6B CF 01 00 00 
{96} normal block at 0x000001CF6B83DFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001CF6B840310, 16 bytes long.
 Data: < &#200;&#130;k&#207;           > 80 C8 82 6B CF 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001CF6B82C880, 40 bytes long.
 Data: <  &#132;k&#207;   &#240;&#223;&#131;k&#207;   > 10 03 84 6B CF 01 00 00 F0 DF 83 6B CF 01 00 00 
{73} normal block at 0x000001CF6B840680, 16 bytes long.
 Data: < &#234;&#194;&#249;&#246;           > 80 EA C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CF6B83FC30, 16 bytes long.
 Data: <@&#233;&#194;&#249;&#246;           > 40 E9 C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CF6B83FE60, 16 bytes long.
 Data: <&#248;W&#191;&#249;&#246;           > F8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CF6B8405E0, 16 bytes long.
 Data: <&#216;W&#191;&#249;&#246;           > D8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CF6B83FE10, 16 bytes long.
 Data: <P &#191;&#249;&#246;           > 50 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CF6B840590, 16 bytes long.
 Data: <0 &#191;&#249;&#246;           > 30 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CF6B840AE0, 16 bytes long.
 Data: <&#224; &#191;&#249;&#246;           > E0 02 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CF6B8409A0, 16 bytes long.
 Data: <  &#191;&#249;&#246;           > 10 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CF6B8407C0, 16 bytes long.
 Data: <p &#191;&#249;&#246;           > 70 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CF6B840A90, 16 bytes long.
 Data: < &#192;&#189;&#249;&#246;           > 18 C0 BD F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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