Task 38679866

Name test_674-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7016_0
Workunit 31621624
Created 26 Oct 2026, 22:03:24 UTC
Sent 26 Oct 2026, 22:03:26 UTC
Report deadline 31 Oct 2026, 22:03:26 UTC
Received 27 Oct 2026, 0:08:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 26 sec
CPU time 36 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.89 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:31:21 (11828): wrapper (7.9.26016): starting
00:31:21 (11828): 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
00:31:22 (11828): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:31:22 (11828): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
01:07:50 (11828): C:/Windows/system32/cmd.exe exited; CPU time 2195.406250
01:07:50 (11828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26357293 bytes.
Dumping objects ->
{3835238} normal block at 0x000001FD316D1560, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x000001FD316D1410, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x000001FD316D0A70, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x000001FD316D1020, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x000001FD316D1170, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x000001FD317F5DE0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x000001FD31710CE0, 160 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) : {3835149} normal block at 0x000001FD2FBA7AC0, 8 bytes long.
 Data: <  n1&#253;   > 00 00 6E 31 FD 01 00 00 
{3834546} normal block at 0x000001FD31711060, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001FD2FBA8420, 8 bytes long.
 Data: < &#176;&#185;/&#253;   > 80 B0 B9 2F FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001FD2FBAE1C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FD2FB9E100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001FD2FBB4DB0, 16 bytes long.
 Data: < Q&#187;/&#253;           > 98 51 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FD2FBB4A90, 16 bytes long.
 Data: <pQ&#187;/&#253;           > 70 51 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FD2FBAC820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001FD2FBB4CC0, 16 bytes long.
 Data: <HQ&#187;/&#253;           > 48 51 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD2FBB4A40, 16 bytes long.
 Data: < Q&#187;/&#253;           > 20 51 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD2FBB4C70, 16 bytes long.
 Data: <&#248;P&#187;/&#253;           > F8 50 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD2FBB4130, 16 bytes long.
 Data: <&#208;P&#187;/&#253;           > D0 50 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD2FBAED60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001FD2FBB49F0, 16 bytes long.
 Data: < &#192;&#185;/&#253;           > 98 C0 B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD2FBAC760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001FD2FBB4D60, 16 bytes long.
 Data: <p&#192;&#185;/&#253;           > 70 C0 B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD2FBB48B0, 16 bytes long.
 Data: <H&#192;&#185;/&#253;           > 48 C0 B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD2FBB3F00, 16 bytes long.
 Data: < &#192;&#185;/&#253;           > 20 C0 B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FD2FBB4860, 16 bytes long.
 Data: <&#248;&#191;&#185;/&#253;           > F8 BF B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD2FBB47C0, 16 bytes long.
 Data: <&#208;&#191;&#185;/&#253;           > D0 BF B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FD2FBB46D0, 16 bytes long.
 Data: <&#168;&#191;&#185;/&#253;           > A8 BF B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD2FBACF40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001FD2FBB4B80, 16 bytes long.
 Data: < &#191;&#185;/&#253;           > 80 BF B9 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD2FB9BF80, 320 bytes long.
 Data: < K&#187;/&#253;   @&#207;&#186;/&#253;   > 80 4B BB 2F FD 01 00 00 40 CF BA 2F FD 01 00 00 
{270} normal block at 0x000001FD2FBB4C20, 16 bytes long.
 Data: <&#176;P&#187;/&#253;           > B0 50 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD2FBB44F0, 16 bytes long.
 Data: < P&#187;/&#253;           > 88 50 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FD2FBAD1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001FD2FBB4590, 16 bytes long.
 Data: <`P&#187;/&#253;           > 60 50 BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD2FBACD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001FD2FBB40E0, 16 bytes long.
 Data: <&#168;O&#187;/&#253;           > A8 4F BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD2FBB44A0, 16 bytes long.
 Data: < O&#187;/&#253;           > 80 4F BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD2FBB4540, 16 bytes long.
 Data: <XO&#187;/&#253;           > 58 4F BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FD2FBB4400, 16 bytes long.
 Data: <0O&#187;/&#253;           > 30 4F BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD2FBB4BD0, 16 bytes long.
 Data: < O&#187;/&#253;           > 08 4F BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FD2FBB42C0, 16 bytes long.
 Data: <&#224;N&#187;/&#253;           > E0 4E BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FD2FBB4680, 16 bytes long.
 Data: <&#192;&#234;&#186;/&#253;           > C0 EA BA 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FD2FBAEAC0, 40 bytes long.
 Data: < F&#187;/&#253;   &#224;] 1&#253;   > 80 46 BB 2F FD 01 00 00 E0 5D 7F 31 FD 01 00 00 
{256} normal block at 0x000001FD2FBB4770, 16 bytes long.
 Data: <&#192;N&#187;/&#253;           > C0 4E BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FD2FBB43B0, 16 bytes long.
 Data: < N&#187;/&#253;           > 98 4E BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FD2FBAD5A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001FD2FBB3FF0, 16 bytes long.
 Data: <pN&#187;/&#253;           > 70 4E BB 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FD2FBB4E70, 992 bytes long.
 Data: <&#240;?&#187;/&#253;   &#160;&#213;&#186;/&#253;   > F0 3F BB 2F FD 01 00 00 A0 D5 BA 2F FD 01 00 00 
{88} normal block at 0x000001FD2FBACE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001FD2FBA7E30, 16 bytes long.
 Data: <&#240;&#236;&#186;/&#253;           > F0 EC BA 2F FD 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001FD2FBAECF0, 40 bytes long.
 Data: <0~&#186;/&#253;    &#206;&#186;/&#253;   > 30 7E BA 2F FD 01 00 00 20 CE BA 2F FD 01 00 00 
{65} normal block at 0x000001FD2FBA7A70, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FD2FBA84C0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FD2FBA8740, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FD2FBA8790, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FD2FBA7F20, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FD2FBA7B60, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FD2FBA7ED0, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FD2FBA86F0, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FD2FBA7D90, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FD2FBA86A0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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