Task 38678132

Name test_130-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8060_1
Workunit 31619535
Created 26 Oct 2026, 16:28:33 UTC
Sent 26 Oct 2026, 16:28:37 UTC
Report deadline 31 Oct 2026, 16:28:37 UTC
Received 26 Oct 2026, 17:32:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 42 min 52 sec
CPU time 36 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.60 MB
Peak swap size 3.09 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:50:29 (11832): wrapper (7.9.26016): starting
17:50:29 (11832): 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
17:50:31 (11832): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:50:31 (11832): 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
18:31:37 (11832): C:/Windows/system32/cmd.exe exited; CPU time 2205.078125
18:31:37 (11832): 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: 39220175 bytes.
Dumping objects ->
{3835267} normal block at 0x000001D2AE755CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001D2AE755B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001D2AE755B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x000001D2AE755AB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001D2AE755C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x000001D2B04884F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001D2B049F5D0, 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) : {3835178} normal block at 0x000001D2AE74FD00, 8 bytes long.
 Data: <  &#196;&#174;&#210;   > 00 00 C4 AE D2 01 00 00 
{3834559} normal block at 0x000001D2B04A0440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001D2AE750110, 8 bytes long.
 Data: <0[Q&#176;&#210;   > 30 5B 51 B0 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D2AE752750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D2AE746DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D2AE756BF0, 16 bytes long.
 Data: <&#232;fu&#174;&#210;           > E8 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D2AE756D80, 16 bytes long.
 Data: <&#192;fu&#174;&#210;           > C0 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D2AE74E990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D2AE756E70, 16 bytes long.
 Data: < fu&#174;&#210;           > 98 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D2AE757230, 16 bytes long.
 Data: <pfu&#174;&#210;           > 70 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D2AE756BA0, 16 bytes long.
 Data: <Hfu&#174;&#210;           > 48 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D2AE757780, 16 bytes long.
 Data: < fu&#174;&#210;           > 20 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D2AE7556C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D2AE757000, 16 bytes long.
 Data: < &#250;t&#174;&#210;           > 88 FA 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D2AE74EC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D2AE7571E0, 16 bytes long.
 Data: <`&#250;t&#174;&#210;           > 60 FA 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D2AE7568D0, 16 bytes long.
 Data: <8&#250;t&#174;&#210;           > 38 FA 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D2AE757140, 16 bytes long.
 Data: < &#250;t&#174;&#210;           > 10 FA 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D2AE7570F0, 16 bytes long.
 Data: <&#232;&#249;t&#174;&#210;           > E8 F9 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D2AE756B50, 16 bytes long.
 Data: <&#192;&#249;t&#174;&#210;           > C0 F9 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D2AE757410, 16 bytes long.
 Data: < &#249;t&#174;&#210;           > 98 F9 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D2AE74E510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D2AE756C40, 16 bytes long.
 Data: <p&#249;t&#174;&#210;           > 70 F9 74 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D2AE74F970, 320 bytes long.
 Data: <@lu&#174;&#210;    &#229;t&#174;&#210;   > 40 6C 75 AE D2 01 00 00 10 E5 74 AE D2 01 00 00 
{274} normal block at 0x000001D2AE7573C0, 16 bytes long.
 Data: < fu&#174;&#210;           > 00 66 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D2AE7575F0, 16 bytes long.
 Data: <&#216;eu&#174;&#210;           > D8 65 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D2AE74E450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D2AE756B00, 16 bytes long.
 Data: <&#176;eu&#174;&#210;           > B0 65 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D2AE74EED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D2AE7575A0, 16 bytes long.
 Data: <&#248;du&#174;&#210;           > F8 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D2AE7570A0, 16 bytes long.
 Data: <&#208;du&#174;&#210;           > D0 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D2AE7572D0, 16 bytes long.
 Data: <&#168;du&#174;&#210;           > A8 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D2AE757370, 16 bytes long.
 Data: < du&#174;&#210;           > 80 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D2AE757280, 16 bytes long.
 Data: <Xdu&#174;&#210;           > 58 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D2AE7507F0, 16 bytes long.
 Data: <0du&#174;&#210;           > 30 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D2AE750700, 16 bytes long.
 Data: < Xu&#174;&#210;           > 10 58 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D2AE755810, 40 bytes long.
 Data: <  u&#174;&#210;   &#240;&#132;H&#176;&#210;   > 00 07 75 AE D2 01 00 00 F0 84 48 B0 D2 01 00 00 
{260} normal block at 0x000001D2AE7502A0, 16 bytes long.
 Data: < du&#174;&#210;           > 10 64 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D2AE750930, 16 bytes long.
 Data: <&#232;cu&#174;&#210;           > E8 63 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D2AE74E1B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D2AE750520, 16 bytes long.
 Data: <&#192;cu&#174;&#210;           > C0 63 75 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D2AE7563C0, 992 bytes long.
 Data: <  u&#174;&#210;   &#176;&#225;t&#174;&#210;   > 20 05 75 AE D2 01 00 00 B0 E1 74 AE D2 01 00 00 
{92} normal block at 0x000001D2AE74EBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D2AE750070, 16 bytes long.
 Data: <&#160;&#205;s&#174;&#210;           > A0 CD 73 AE D2 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D2AE73CDA0, 40 bytes long.
 Data: <p u&#174;&#210;   &#208;&#235;t&#174;&#210;   > 70 00 75 AE D2 01 00 00 D0 EB 74 AE D2 01 00 00 
{69} normal block at 0x000001D2AE750570, 16 bytes long.
 Data: < &#234; l&#247;           > 80 EA 99 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D2AE750020, 16 bytes long.
 Data: <@&#233; l&#247;           > 40 E9 99 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D2AE750890, 16 bytes long.
 Data: <&#248;W&#150;l&#247;           > F8 57 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D2AE74FCB0, 16 bytes long.
 Data: <&#216;W&#150;l&#247;           > D8 57 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D2AE74FFD0, 16 bytes long.
 Data: <P &#150;l&#247;           > 50 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D2AE74FC60, 16 bytes long.
 Data: <0 &#150;l&#247;           > 30 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D2AE74FC10, 16 bytes long.
 Data: <&#224; &#150;l&#247;           > E0 02 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D2AE74FDA0, 16 bytes long.
 Data: <  &#150;l&#247;           > 10 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D2AE750660, 16 bytes long.
 Data: <p &#150;l&#247;           > 70 04 96 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D2AE750B10, 16 bytes long.
 Data: < &#192;&#148;l&#247;           > 18 C0 94 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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