Task 38683348

Name test_76-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8488_1
Workunit 31618710
Created 27 Oct 2026, 11:28:22 UTC
Sent 27 Oct 2026, 11:28:33 UTC
Report deadline 1 Nov 2026, 11:28:33 UTC
Received 27 Oct 2026, 12:26:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 600624
Run time 40 min 17 sec
CPU time 37 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,602.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.59 MB
Peak swap size 12.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:46:40 (44792): wrapper (7.9.26016): starting
06:46:40 (44792): 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
06:46:42 (44792): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:46:42 (44792): 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 'D:\ProgramData\BOINC\slots\32\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 'D:\ProgramData\BOINC\slots\32\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
07:25:05 (44792): C:/Windows/system32/cmd.exe exited; CPU time 2262.687500
07:25:05 (44792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
532 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: 43381989 bytes.
Dumping objects ->
{3835254} normal block at 0x000002460C58A180, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000002460C58A650, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000002460C58A5E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835221} normal block at 0x000002460C58A570, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002460C58A110, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835179} normal block at 0x000002460E20D490, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000002460C5AEDF0, 138 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) : {3835165} normal block at 0x000002460C561DE0, 8 bytes long.
 Data: <  O F   > 00 00 4F 0C 46 02 00 00 
{3834552} normal block at 0x000002460C5ADA70, 138 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 0x000002460C562150, 8 bytes long.
 Data: <&#192;&#232;c F   > C0 E8 63 0C 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002460C563880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002460C54AE50, 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 0x000002460C55A2C0, 16 bytes long.
 Data: <&#232;KV F           > E8 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002460C55A310, 16 bytes long.
 Data: <&#192;KV F           > C0 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002460C55FE40, 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 0x000002460C55A270, 16 bytes long.
 Data: < KV F           > 98 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002460C55A1D0, 16 bytes long.
 Data: <pKV F           > 70 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002460C55A090, 16 bytes long.
 Data: <HKV F           > 48 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002460C55A220, 16 bytes long.
 Data: < KV F           > 20 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002460C55E480, 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 0x000002460C55A040, 16 bytes long.
 Data: <&#232;&#215;T F           > E8 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002460C5601A0, 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 0x000002460C559A00, 16 bytes long.
 Data: <&#192;&#215;T F           > C0 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002460C559EB0, 16 bytes long.
 Data: < &#215;T F           > 98 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002460C559B40, 16 bytes long.
 Data: <p&#215;T F           > 70 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002460C5599B0, 16 bytes long.
 Data: <H&#215;T F           > 48 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002460C561BB0, 16 bytes long.
 Data: < &#215;T F           > 20 D7 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002460C561B10, 16 bytes long.
 Data: <&#248;&#214;T F           > F8 D6 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002460C55FA20, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x000002460C561FC0, 16 bytes long.
 Data: <&#208;&#214;T F           > D0 D6 54 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002460C54D6D0, 320 bytes long.
 Data: <&#192; V F    &#250;U F   > C0 1F 56 0C 46 02 00 00 20 FA 55 0C 46 02 00 00 
{268} normal block at 0x000002460C561F20, 16 bytes long.
 Data: < KV F           > 00 4B 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002460C561D90, 16 bytes long.
 Data: <&#216;JV F           > D8 4A 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002460C55F660, 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 0x000002460C561CF0, 16 bytes long.
 Data: <&#176;JV F           > B0 4A 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002460C55FCC0, 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 0x000002460C562060, 16 bytes long.
 Data: <&#248;IV F           > F8 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002460C561D40, 16 bytes long.
 Data: <&#208;IV F           > D0 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002460C561A70, 16 bytes long.
 Data: <&#168;IV F           > A8 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002460C562010, 16 bytes long.
 Data: < IV F           > 80 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002460C561CA0, 16 bytes long.
 Data: <XIV F           > 58 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002460C561F70, 16 bytes long.
 Data: <0IV F           > 30 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002460C5621A0, 16 bytes long.
 Data: <&#208;&#229;U F           > D0 E5 55 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002460C55E5D0, 40 bytes long.
 Data: <&#160;!V F    &#212;  F   > A0 21 56 0C 46 02 00 00 90 D4 20 0E 46 02 00 00 
{254} normal block at 0x000002460C562100, 16 bytes long.
 Data: < IV F           > 10 49 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002460C561C00, 16 bytes long.
 Data: <&#232;HV F           > E8 48 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002460C55FD80, 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 0x000002460C561C50, 16 bytes long.
 Data: <&#192;HV F           > C0 48 56 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002460C5648C0, 992 bytes long.
 Data: <P V F    &#253;U F   > 50 1C 56 0C 46 02 00 00 80 FD 55 0C 46 02 00 00 
{86} normal block at 0x000002460C560020, 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 0x000002460C559820, 16 bytes long.
 Data: <&#160;&#227;U F           > A0 E3 55 0C 46 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002460C55E3A0, 40 bytes long.
 Data: <  U F     V F   > 20 98 55 0C 46 02 00 00 20 00 56 0C 46 02 00 00 
{63} normal block at 0x000002460C55A450, 16 bytes long.
 Data: < &#234;&#204;&#154;&#247;           > 80 EA CC 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002460C55A4A0, 16 bytes long.
 Data: <@&#233;&#204;&#154;&#247;           > 40 E9 CC 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002460C559FF0, 16 bytes long.
 Data: <&#248;W&#201;&#154;&#247;           > F8 57 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002460C559B90, 16 bytes long.
 Data: <&#216;W&#201;&#154;&#247;           > D8 57 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002460C559C30, 16 bytes long.
 Data: <P &#201;&#154;&#247;           > 50 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002460C55A400, 16 bytes long.
 Data: <0 &#201;&#154;&#247;           > 30 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002460C559780, 16 bytes long.
 Data: <&#224; &#201;&#154;&#247;           > E0 02 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002460C559870, 16 bytes long.
 Data: <  &#201;&#154;&#247;           > 10 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002460C559AF0, 16 bytes long.
 Data: <p &#201;&#154;&#247;           > 70 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002460C559D70, 16 bytes long.
 Data: < &#192;&#199;&#154;&#247;           > 18 C0 C7 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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