Task 38650968

Name test_40-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8339_0
Workunit 31595426
Created 24 Oct 2026, 0:37:30 UTC
Sent 24 Oct 2026, 0:50:44 UTC
Report deadline 29 Oct 2026, 0:50:44 UTC
Received 24 Oct 2026, 3:04:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 29 min 50 sec
CPU time 28 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.19 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:34:49 (21164): wrapper (7.9.26016): starting
05:34:49 (21164): 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
05:34:50 (21164): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:34:50 (21164): 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
06:04:01 (21164): C:/Windows/system32/cmd.exe exited; CPU time 1734.703125
06:04:01 (21164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 23431429 bytes.
Dumping objects ->
{3835550} normal block at 0x000001EA3F1D9700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001EA3D584530, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000001EA3D5844C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000001EA3D584680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001EA3D584840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000001EA3F1E8E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001EA3F110730, 155 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) : {3835461} normal block at 0x000001EA3D57EF40, 8 bytes long.
 Data: <  &#242;>&#234;   > 00 00 F2 3E EA 01 00 00 
{3834689} normal block at 0x000001EA3F110110, 155 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 0x000001EA3D57E810, 8 bytes long.
 Data: <@G$?&#234;   > 40 47 24 3F EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EA3D580880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EA3D575C60, 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 0x000001EA3D585280, 16 bytes long.
 Data: <heX=&#234;           > 68 65 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EA3D585460, 16 bytes long.
 Data: <@eX=&#234;           > 40 65 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA3D580050, 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 0x000001EA3D585B40, 16 bytes long.
 Data: < eX=&#234;           > 18 65 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EA3D585AA0, 16 bytes long.
 Data: <&#240;dX=&#234;           > F0 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EA3D585AF0, 16 bytes long.
 Data: <&#200;dX=&#234;           > C8 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EA3D585A00, 16 bytes long.
 Data: <&#160;dX=&#234;           > A0 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EA3D5848B0, 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 0x000001EA3D585410, 16 bytes long.
 Data: <&#184;&#139;W=&#234;           > B8 8B 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EA3D57FFF0, 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 0x000001EA3D5859B0, 16 bytes long.
 Data: <&#144;&#139;W=&#234;           > 90 8B 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EA3D585910, 16 bytes long.
 Data: <h&#139;W=&#234;           > 68 8B 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA3D585500, 16 bytes long.
 Data: <@&#139;W=&#234;           > 40 8B 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EA3D5853C0, 16 bytes long.
 Data: < &#139;W=&#234;           > 18 8B 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EA3D585B90, 16 bytes long.
 Data: <&#240;&#138;W=&#234;           > F0 8A 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA3D5855F0, 16 bytes long.
 Data: <&#200;&#138;W=&#234;           > C8 8A 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EA3D57FE10, 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 0x000001EA3D5858C0, 16 bytes long.
 Data: <&#160;&#138;W=&#234;           > A0 8A 57 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EA3D578AA0, 320 bytes long.
 Data: <&#192;XX=&#234;    &#254;W=&#234;   > C0 58 58 3D EA 01 00 00 10 FE 57 3D EA 01 00 00 
{274} normal block at 0x000001EA3D585870, 16 bytes long.
 Data: <&#128;dX=&#234;           > 80 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EA3D585730, 16 bytes long.
 Data: <XdX=&#234;           > 58 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EA3D57F5D0, 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 0x000001EA3D585A50, 16 bytes long.
 Data: <0dX=&#234;           > 30 64 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EA3D57FF30, 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 0x000001EA3D585820, 16 bytes long.
 Data: <xcX=&#234;           > 78 63 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EA3D585780, 16 bytes long.
 Data: <PcX=&#234;           > 50 63 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EA3D585690, 16 bytes long.
 Data: <(cX=&#234;           > 28 63 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EA3D5856E0, 16 bytes long.
 Data: < cX=&#234;           > 00 63 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EA3D585E60, 16 bytes long.
 Data: <&#216;bX=&#234;           > D8 62 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EA3D5855A0, 16 bytes long.
 Data: <&#176;bX=&#234;           > B0 62 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EA3D585640, 16 bytes long.
 Data: <&#240;FX=&#234;           > F0 46 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EA3D5846F0, 40 bytes long.
 Data: <@VX=&#234;   &#128;&#142; ?&#234;   > 40 56 58 3D EA 01 00 00 80 8E 1E 3F EA 01 00 00 
{260} normal block at 0x000001EA3D586130, 16 bytes long.
 Data: <&#144;bX=&#234;           > 90 62 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EA3D585960, 16 bytes long.
 Data: <hbX=&#234;           > 68 62 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EA3D57FAB0, 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 0x000001EA3D585DC0, 16 bytes long.
 Data: <@bX=&#234;           > 40 62 58 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EA3D586240, 992 bytes long.
 Data: <&#192;]X=&#234;   &#176;&#250;W=&#234;   > C0 5D 58 3D EA 01 00 00 B0 FA 57 3D EA 01 00 00 
{92} normal block at 0x000001EA3D57F6F0, 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 0x000001EA3D57EEF0, 16 bytes long.
 Data: <&#240;&#196;V=&#234;           > F0 C4 56 3D EA 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001EA3D56C4F0, 40 bytes long.
 Data: <&#240;&#238;W=&#234;   &#240;&#246;W=&#234;   > F0 EE 57 3D EA 01 00 00 F0 F6 57 3D EA 01 00 00 
{69} normal block at 0x000001EA3D57EC70, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EA3D57F210, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EA3D57EC20, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EA3D57EBD0, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EA3D57E720, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EA3D57E6D0, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EA3D57E630, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EA3D57E4F0, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EA3D57F170, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EA3D57EB30, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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