Task 38675562

Name test_666-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5125_0
Workunit 31617527
Created 26 Oct 2026, 8:39:22 UTC
Sent 26 Oct 2026, 8:39:26 UTC
Report deadline 31 Oct 2026, 8:39:26 UTC
Received 26 Oct 2026, 9:43:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 44 min 41 sec
CPU time 41 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.44 MB
Peak swap size 6.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:58:54 (3740): wrapper (7.9.26016): starting
04:58:54 (3740): 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
04:58:55 (3740): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:58:55 (3740): 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\14\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\14\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
05:42:34 (3740): C:/Windows/system32/cmd.exe exited; CPU time 2496.468750
05:42:34 (3740): 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: 33061469 bytes.
Dumping objects ->
{3835219} normal block at 0x0000012BF84B9A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000012BF84B9460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000012BF84B99A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000012BF84B93F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000012BF695CEC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000012BF845E410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000012BF84BEF80, 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) : {3835130} normal block at 0x0000012BF6958E10, 8 bytes long.
 Data: <  &#145;&#246;+   > 00 00 91 F6 2B 01 00 00 
{3834526} normal block at 0x0000012BF84BF030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000012BF6958460, 8 bytes long.
 Data: <`Y;&#248;+   > 60 59 3B F8 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000012BF6961960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012BF6945C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000012BF69634E0, 16 bytes long.
 Data: <&#168;O&#150;&#246;+           > A8 4F 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012BF69629A0, 16 bytes long.
 Data: < O&#150;&#246;+           > 80 4F 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012BF695EC50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000012BF69632B0, 16 bytes long.
 Data: <XO&#150;&#246;+           > 58 4F 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012BF6962F40, 16 bytes long.
 Data: <0O&#150;&#246;+           > 30 4F 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012BF6963080, 16 bytes long.
 Data: < O&#150;&#246;+           > 08 4F 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012BF6962EA0, 16 bytes long.
 Data: <&#224;N&#150;&#246;+           > E0 4E 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012BF695D390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000012BF6963760, 16 bytes long.
 Data: < \&#148;&#246;+           > 08 5C 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012BF695F070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000012BF6963710, 16 bytes long.
 Data: <&#224;[&#148;&#246;+           > E0 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012BF6963490, 16 bytes long.
 Data: <&#184;[&#148;&#246;+           > B8 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012BF6963300, 16 bytes long.
 Data: < [&#148;&#246;+           > 90 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012BF6963030, 16 bytes long.
 Data: <h[&#148;&#246;+           > 68 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012BF6962E50, 16 bytes long.
 Data: <@[&#148;&#246;+           > 40 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012BF6962900, 16 bytes long.
 Data: < [&#148;&#246;+           > 18 5B 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012BF695EB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000012BF6962CC0, 16 bytes long.
 Data: <&#240;Z&#148;&#246;+           > F0 5A 94 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012BF6945AF0, 320 bytes long.
 Data: <&#192;,&#150;&#246;+    &#235;&#149;&#246;+   > C0 2C 96 F6 2B 01 00 00 90 EB 95 F6 2B 01 00 00 
{268} normal block at 0x0000012BF6962AE0, 16 bytes long.
 Data: <&#192;N&#150;&#246;+           > C0 4E 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012BF6962E00, 16 bytes long.
 Data: < N&#150;&#246;+           > 98 4E 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012BF695E410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000012BF6962EF0, 16 bytes long.
 Data: <pN&#150;&#246;+           > 70 4E 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012BF695ECB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000012BF69633F0, 16 bytes long.
 Data: <&#184;M&#150;&#246;+           > B8 4D 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012BF69636C0, 16 bytes long.
 Data: < M&#150;&#246;+           > 90 4D 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012BF6963350, 16 bytes long.
 Data: <hM&#150;&#246;+           > 68 4D 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012BF6962D10, 16 bytes long.
 Data: <@M&#150;&#246;+           > 40 4D 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012BF6962A40, 16 bytes long.
 Data: < M&#150;&#246;+           > 18 4D 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012BF6963170, 16 bytes long.
 Data: <&#240;L&#150;&#246;+           > F0 4C 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000012BF6962C20, 16 bytes long.
 Data: <p&#205;&#149;&#246;+           > 70 CD 95 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000012BF695CD70, 40 bytes long.
 Data: < ,&#150;&#246;+    &#228;E&#248;+   > 20 2C 96 F6 2B 01 00 00 10 E4 45 F8 2B 01 00 00 
{254} normal block at 0x0000012BF6962A90, 16 bytes long.
 Data: <&#208;L&#150;&#246;+           > D0 4C 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000012BF6962FE0, 16 bytes long.
 Data: <&#168;L&#150;&#246;+           > A8 4C 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000012BF695E590, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000012BF6963620, 16 bytes long.
 Data: < L&#150;&#246;+           > 80 4C 96 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000012BF6964C80, 992 bytes long.
 Data: < 6&#150;&#246;+    &#229;&#149;&#246;+   > 20 36 96 F6 2B 01 00 00 90 E5 95 F6 2B 01 00 00 
{86} normal block at 0x0000012BF695E5F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000012BF69582D0, 16 bytes long.
 Data: <&#240;&#208;&#149;&#246;+           > F0 D0 95 F6 2B 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000012BF695D0F0, 40 bytes long.
 Data: <&#208;&#130;&#149;&#246;+   &#240;&#229;&#149;&#246;+   > D0 82 95 F6 2B 01 00 00 F0 E5 95 F6 2B 01 00 00 
{63} normal block at 0x0000012BF6958DC0, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012BF6958D20, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012BF6958D70, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012BF69584B0, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000012BF6958780, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000012BF69586E0, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000012BF6958C80, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000012BF6958230, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000012BF6958BE0, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000012BF6958C30, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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