Task 38680422

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4337_0
Workunit 31622143
Created 26 Oct 2026, 23:54:09 UTC
Sent 26 Oct 2026, 23:54:15 UTC
Report deadline 31 Oct 2026, 23:54:15 UTC
Received 27 Oct 2026, 2:01:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 27 min 14 sec
CPU time 26 min 53 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 736.69 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:42 (50536): wrapper (7.9.26016): starting
01:47:42 (50536): 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
01:47:43 (50536): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:47:43 (50536): 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\1\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\1\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
02:14:39 (50536): C:/Windows/system32/cmd.exe exited; CPU time 1613.203125
02:14:39 (50536): 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: 27079173 bytes.
Dumping objects ->
{3835277} normal block at 0x000001BF8ADF2DC0, 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 0x000001BF8ADF38B0, 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 0x000001BF8ADF3220, 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 0x000001BF8ADF3CA0, 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 0x000001BF890C4B50, 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 0x000001BF8AD66B40, 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 0x000001BF8AD7EB50, 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 0x000001BF890BEDA0, 8 bytes long.
 Data: <  &#195;&#138;&#191;   > 00 00 C3 8A BF 01 00 00 
{3834564} normal block at 0x000001BF8AD7E680, 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 0x000001BF890BEF80, 8 bytes long.
 Data: <&#160;&#174; &#137;&#191;   > A0 AE 0E 89 BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001BF890C0E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BF890AF630, 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 0x000001BF890C5850, 16 bytes long.
 Data: <&#184;c &#137;&#191;           > B8 63 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BF890C5120, 16 bytes long.
 Data: < c &#137;&#191;           > 90 63 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BF890BFDD0, 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 0x000001BF890C5DF0, 16 bytes long.
 Data: <hc &#137;&#191;           > 68 63 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BF890C52B0, 16 bytes long.
 Data: <@c &#137;&#191;           > 40 63 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BF890C5260, 16 bytes long.
 Data: < c &#137;&#191;           > 18 63 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BF890C5670, 16 bytes long.
 Data: <&#240;b &#137;&#191;           > F0 62 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BF890C4920, 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 0x000001BF890C51C0, 16 bytes long.
 Data: <&#184;&#181; &#137;&#191;           > B8 B5 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BF890C0370, 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 0x000001BF890C5F30, 16 bytes long.
 Data: < &#181; &#137;&#191;           > 90 B5 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BF890C5490, 16 bytes long.
 Data: <h&#181; &#137;&#191;           > 68 B5 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF890C5940, 16 bytes long.
 Data: <@&#181; &#137;&#191;           > 40 B5 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BF890C53F0, 16 bytes long.
 Data: < &#181; &#137;&#191;           > 18 B5 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BF890C5580, 16 bytes long.
 Data: <&#240;&#180; &#137;&#191;           > F0 B4 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BF890C53A0, 16 bytes long.
 Data: <&#200;&#180; &#137;&#191;           > C8 B4 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BF890BFEF0, 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 0x000001BF890C5710, 16 bytes long.
 Data: <&#160;&#180; &#137;&#191;           > A0 B4 0A 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BF890AB4A0, 320 bytes long.
 Data: < W &#137;&#191;   &#240;&#254; &#137;&#191;   > 10 57 0C 89 BF 01 00 00 F0 FE 0B 89 BF 01 00 00 
{275} normal block at 0x000001BF890C58F0, 16 bytes long.
 Data: <&#208;b &#137;&#191;           > D0 62 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BF890C58A0, 16 bytes long.
 Data: <&#168;b &#137;&#191;           > A8 62 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BF890C0190, 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 0x000001BF890C5C10, 16 bytes long.
 Data: < b &#137;&#191;           > 80 62 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BF890BF950, 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 0x000001BF890C5DA0, 16 bytes long.
 Data: <&#200;a &#137;&#191;           > C8 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BF890C5300, 16 bytes long.
 Data: <&#160;a &#137;&#191;           > A0 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BF890C56C0, 16 bytes long.
 Data: <xa &#137;&#191;           > 78 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BF890C5800, 16 bytes long.
 Data: <Pa &#137;&#191;           > 50 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BF890C5AD0, 16 bytes long.
 Data: <(a &#137;&#191;           > 28 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BF890C5760, 16 bytes long.
 Data: < a &#137;&#191;           > 00 61 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BF890C5EE0, 16 bytes long.
 Data: <pJ &#137;&#191;           > 70 4A 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BF890C4A70, 40 bytes long.
 Data: <&#224;^ &#137;&#191;   @k&#214;&#138;&#191;   > E0 5E 0C 89 BF 01 00 00 40 6B D6 8A BF 01 00 00 
{261} normal block at 0x000001BF890C5E90, 16 bytes long.
 Data: <&#224;` &#137;&#191;           > E0 60 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BF890C5E40, 16 bytes long.
 Data: <&#184;` &#137;&#191;           > B8 60 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BF890BF7D0, 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 0x000001BF890C5350, 16 bytes long.
 Data: < ` &#137;&#191;           > 90 60 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BF890C6090, 992 bytes long.
 Data: <PS &#137;&#191;   &#208;&#247; &#137;&#191;   > 50 53 0C 89 BF 01 00 00 D0 F7 0B 89 BF 01 00 00 
{93} normal block at 0x000001BF890BFB30, 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 0x000001BF890BED50, 16 bytes long.
 Data: <@H &#137;&#191;           > 40 48 0C 89 BF 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001BF890C4840, 40 bytes long.
 Data: <P&#237; &#137;&#191;   0&#251; &#137;&#191;   > 50 ED 0B 89 BF 01 00 00 30 FB 0B 89 BF 01 00 00 
{70} normal block at 0x000001BF890BF110, 16 bytes long.
 Data: < &#234;2&#244;&#246;           > 80 EA 32 F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BF890BF250, 16 bytes long.
 Data: <@&#233;2&#244;&#246;           > 40 E9 32 F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BF890BEEE0, 16 bytes long.
 Data: <&#248;W/&#244;&#246;           > F8 57 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BF890BEB70, 16 bytes long.
 Data: <&#216;W/&#244;&#246;           > D8 57 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BF890BEA30, 16 bytes long.
 Data: <P /&#244;&#246;           > 50 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BF890BEB20, 16 bytes long.
 Data: <0 /&#244;&#246;           > 30 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BF890BEA80, 16 bytes long.
 Data: <&#224; /&#244;&#246;           > E0 02 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BF890BE850, 16 bytes long.
 Data: <  /&#244;&#246;           > 10 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BF890BE940, 16 bytes long.
 Data: <p /&#244;&#246;           > 70 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BF890BE8F0, 16 bytes long.
 Data: < &#192;-&#244;&#246;           > 18 C0 2D F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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