Task 38665986

Name test_886-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1136_0
Workunit 31609021
Created 25 Oct 2026, 1:52:54 UTC
Sent 25 Oct 2026, 3:36:06 UTC
Report deadline 30 Oct 2026, 3:36:06 UTC
Received 26 Oct 2026, 0:08:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 11 hours 28 min 24 sec
CPU time 11 hours 28 min 24 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.69 MB
Peak swap size 5.35 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:03:33 (44608): wrapper (7.9.26016): starting
06:03:33 (44608): 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
06:03:34 (44608): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:03:34 (44608): 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\6\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\6\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
18:07:55 (44608): C:/Windows/system32/cmd.exe exited; CPU time 41304.593750
18:07:55 (44608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 923704099 bytes.
Dumping objects ->
{3835232} normal block at 0x000001F8078FD460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001F805C34C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000001F805C34AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x000001F805C34900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000001F805C35000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x000001F807944EA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001F805C9A9A0, 140 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) : {3835143} normal block at 0x000001F805C2F190, 8 bytes long.
 Data: <  &#191; &#248;   > 00 00 BF 05 F8 01 00 00 
{3834543} normal block at 0x000001F805C9A180, 140 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 0x000001F805C2F3C0, 8 bytes long.
 Data: <`J  &#248;   > 60 4A 9D 07 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F805C31660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F805C266F0, 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 0x000001F805C35560, 16 bytes long.
 Data: <&#248;g&#195; &#248;           > F8 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F805C36460, 16 bytes long.
 Data: <&#208;g&#195; &#248;           > D0 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F805C2FAF0, 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 0x000001F805C35880, 16 bytes long.
 Data: <&#168;g&#195; &#248;           > A8 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F805C357E0, 16 bytes long.
 Data: < g&#195; &#248;           > 80 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F805C35740, 16 bytes long.
 Data: <Xg&#195; &#248;           > 58 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F805C358D0, 16 bytes long.
 Data: <0g&#195; &#248;           > 30 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F805C349E0, 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 0x000001F805C359C0, 16 bytes long.
 Data: <&#200;&#231;&#194; &#248;           > C8 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F805C2FA90, 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 0x000001F805C363C0, 16 bytes long.
 Data: <&#160;&#231;&#194; &#248;           > A0 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F805C35A10, 16 bytes long.
 Data: <x&#231;&#194; &#248;           > 78 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F805C36190, 16 bytes long.
 Data: <P&#231;&#194; &#248;           > 50 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F805C36320, 16 bytes long.
 Data: <(&#231;&#194; &#248;           > 28 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F805C35510, 16 bytes long.
 Data: < &#231;&#194; &#248;           > 00 E7 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F805C35E70, 16 bytes long.
 Data: <&#216;&#230;&#194; &#248;           > D8 E6 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F805C2FDF0, 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 0x000001F805C36410, 16 bytes long.
 Data: <&#176;&#230;&#194; &#248;           > B0 E6 C2 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F805C2E6B0, 320 bytes long.
 Data: < d&#195; &#248;   &#240;&#253;&#194; &#248;   > 10 64 C3 05 F8 01 00 00 F0 FD C2 05 F8 01 00 00 
{276} normal block at 0x000001F805C36370, 16 bytes long.
 Data: < g&#195; &#248;           > 10 67 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F805C35D80, 16 bytes long.
 Data: <&#232;f&#195; &#248;           > E8 66 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F805C308D0, 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 0x000001F805C35790, 16 bytes long.
 Data: <&#192;f&#195; &#248;           > C0 66 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F805C2FF70, 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 0x000001F805C35600, 16 bytes long.
 Data: < f&#195; &#248;           > 08 66 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F805C36280, 16 bytes long.
 Data: <&#224;e&#195; &#248;           > E0 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F805C36140, 16 bytes long.
 Data: <&#184;e&#195; &#248;           > B8 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F805C35CE0, 16 bytes long.
 Data: < e&#195; &#248;           > 90 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F805C35970, 16 bytes long.
 Data: <he&#195; &#248;           > 68 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F805C35830, 16 bytes long.
 Data: <@e&#195; &#248;           > 40 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F805C35650, 16 bytes long.
 Data: <`M&#195; &#248;           > 60 4D C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F805C34D60, 40 bytes long.
 Data: <PV&#195; &#248;   &#160;N&#148; &#248;   > 50 56 C3 05 F8 01 00 00 A0 4E 94 07 F8 01 00 00 
{262} normal block at 0x000001F805C35E20, 16 bytes long.
 Data: < e&#195; &#248;           > 20 65 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F805C360F0, 16 bytes long.
 Data: <&#248;d&#195; &#248;           > F8 64 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F805C300F0, 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 0x000001F805C362D0, 16 bytes long.
 Data: <&#208;d&#195; &#248;           > D0 64 C3 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F805C364D0, 992 bytes long.
 Data: <&#208;b&#195; &#248;   &#240; &#195; &#248;   > D0 62 C3 05 F8 01 00 00 F0 00 C3 05 F8 01 00 00 
{94} normal block at 0x000001F805C30870, 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 0x000001F805C2F320, 16 bytes long.
 Data: <&#192;&#230;&#193; &#248;           > C0 E6 C1 05 F8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F805C1E6C0, 40 bytes long.
 Data: < &#243;&#194; &#248;   p &#195; &#248;   > 20 F3 C2 05 F8 01 00 00 70 08 C3 05 F8 01 00 00 
{71} normal block at 0x000001F805C2F640, 16 bytes long.
 Data: < &#234;&#253;&#180;&#246;           > 80 EA FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F805C2F730, 16 bytes long.
 Data: <@&#233;&#253;&#180;&#246;           > 40 E9 FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F805C2F050, 16 bytes long.
 Data: <&#248;W&#250;&#180;&#246;           > F8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F805C2F5A0, 16 bytes long.
 Data: <&#216;W&#250;&#180;&#246;           > D8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F805C2EAB0, 16 bytes long.
 Data: <P &#250;&#180;&#246;           > 50 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F805C2EA10, 16 bytes long.
 Data: <0 &#250;&#180;&#246;           > 30 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F805C2F870, 16 bytes long.
 Data: <&#224; &#250;&#180;&#246;           > E0 02 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F805C2EF60, 16 bytes long.
 Data: <  &#250;&#180;&#246;           > 10 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F805C2EC90, 16 bytes long.
 Data: <p &#250;&#180;&#246;           > 70 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F805C2E9C0, 16 bytes long.
 Data: < &#192;&#248;&#180;&#246;           > 18 C0 F8 B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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