Task 38670996

Name test_142-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0602_0
Workunit 31613219
Created 25 Oct 2026, 19:11:57 UTC
Sent 25 Oct 2026, 19:12:01 UTC
Report deadline 30 Oct 2026, 19:12:01 UTC
Received 25 Oct 2026, 20:48:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 28 min 16 sec
CPU time 26 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 805.68 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:20:07 (29760): wrapper (7.9.26016): starting
22:20:07 (29760): 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
22:20:08 (29760): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:20:08 (29760): 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
22:47:42 (29760): C:/Windows/system32/cmd.exe exited; CPU time 1596.609375
22:47:42 (29760): 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: 47377451 bytes.
Dumping objects ->
{3835491} normal block at 0x0000021FA2041380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000021FA20405F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000021FA2040D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000021FA02D5240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000021FA02D51D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000021FA20B69F0, 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) : {3835403} normal block at 0x0000021FA02CD510, 8 bytes long.
 Data: <  |&#160;    > 00 00 7C A0 1F 02 00 00 
{3833963} normal block at 0x0000021FA02CD560, 8 bytes long.
 Data: <PP &#162;    > 50 50 11 A2 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021FA02D1E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021FA02C6D90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021FA02D6010, 16 bytes long.
 Data: <&#168;m-&#160;            > A8 6D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021FA02D5D90, 16 bytes long.
 Data: < m-&#160;            > 80 6D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021FA02CFD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021FA02D5D40, 16 bytes long.
 Data: <Xm-&#160;            > 58 6D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021FA02D5CF0, 16 bytes long.
 Data: <0m-&#160;            > 30 6D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FA02D6330, 16 bytes long.
 Data: < m-&#160;            > 08 6D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FA02D61A0, 16 bytes long.
 Data: <&#224;l-&#160;            > E0 6C 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021FA02D4E50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021FA02D5FC0, 16 bytes long.
 Data: < &#147;,&#160;            > 18 93 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021FA02CFDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021FA02D6600, 16 bytes long.
 Data: <&#240;&#146;,&#160;            > F0 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021FA02D6510, 16 bytes long.
 Data: <&#200;&#146;,&#160;            > C8 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FA02D6100, 16 bytes long.
 Data: <&#160;&#146;,&#160;            > A0 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FA02D6470, 16 bytes long.
 Data: <x&#146;,&#160;            > 78 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FA02D61F0, 16 bytes long.
 Data: <P&#146;,&#160;            > 50 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FA02D65B0, 16 bytes long.
 Data: <(&#146;,&#160;            > 28 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FA02CF5D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021FA02D60B0, 16 bytes long.
 Data: < &#146;,&#160;            > 00 92 2C A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FA02C9200, 320 bytes long.
 Data: <&#176;`-&#160;    &#208;&#245;,&#160;    > B0 60 2D A0 1F 02 00 00 D0 F5 2C A0 1F 02 00 00 
{277} normal block at 0x0000021FA02D6790, 16 bytes long.
 Data: <&#192;l-&#160;            > C0 6C 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FA02D5CA0, 16 bytes long.
 Data: < l-&#160;            > 98 6C 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FA02CF270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021FA02D5F70, 16 bytes long.
 Data: <pl-&#160;            > 70 6C 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021FA02CF8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021FA02D6880, 16 bytes long.
 Data: <&#184;k-&#160;            > B8 6B 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021FA02D5ED0, 16 bytes long.
 Data: < k-&#160;            > 90 6B 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021FA02D5C50, 16 bytes long.
 Data: <hk-&#160;            > 68 6B 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FA02D64C0, 16 bytes long.
 Data: <@k-&#160;            > 40 6B 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FA02D5C00, 16 bytes long.
 Data: < k-&#160;            > 18 6B 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021FA02D5BB0, 16 bytes long.
 Data: <&#240;j-&#160;            > F0 6A 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021FA02D6060, 16 bytes long.
 Data: <&#224;M-&#160;            > E0 4D 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021FA02D4DE0, 40 bytes long.
 Data: <``-&#160;    &#240;i &#162;    > 60 60 2D A0 1F 02 00 00 F0 69 0B A2 1F 02 00 00 
{263} normal block at 0x0000021FA02D5F20, 16 bytes long.
 Data: <&#208;j-&#160;            > D0 6A 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021FA02D6560, 16 bytes long.
 Data: <&#168;j-&#160;            > A8 6A 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021FA02CFBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021FA02D6150, 16 bytes long.
 Data: < j-&#160;            > 80 6A 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021FA02D6A80, 992 bytes long.
 Data: <Pa-&#160;    &#208;&#251;,&#160;    > 50 61 2D A0 1F 02 00 00 D0 FB 2C A0 1F 02 00 00 
{95} normal block at 0x0000021FA02CF9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021FA02CD6A0, 16 bytes long.
 Data: <&#160;O-&#160;            > A0 4F 2D A0 1F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021FA02D4FA0, 40 bytes long.
 Data: <&#160;&#214;,&#160;    &#240;&#249;,&#160;    > A0 D6 2C A0 1F 02 00 00 F0 F9 2C A0 1F 02 00 00 
{72} normal block at 0x0000021FA02CDA10, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021FA02CE140, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021FA02CD880, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021FA02CD9C0, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021FA02CDC40, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FA02CDC90, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FA02CDDD0, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FA02CDAB0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FA02CE1E0, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FA02CDB00, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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