Task 38680387

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8416_0
Workunit 31622109
Created 26 Oct 2026, 23:46:05 UTC
Sent 26 Oct 2026, 23:46:10 UTC
Report deadline 31 Oct 2026, 23:46:10 UTC
Received 27 Oct 2026, 1:17:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 32 min
CPU time 28 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.07 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:45:24 (17396): wrapper (7.9.26016): starting
01:45:24 (17396): 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
01:45:25 (17396): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:45:25 (17396): 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
02:17:03 (17396): C:/Windows/system32/cmd.exe exited; CPU time 1727.218750
02:17:03 (17396): 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: 32175277 bytes.
Dumping objects ->
{3835197} normal block at 0x000002841B00DEC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000284193B5260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000284193B5340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000284193B51F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000284193B5180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000002841B0552E0, 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) : {3835109} normal block at 0x00000284193B03C0, 8 bytes long.
 Data: <    &#132;   > 00 00 80 19 84 02 00 00 
{3833961} normal block at 0x00000284193B0140, 8 bytes long.
 Data: <0Z  &#132;   > 30 5A 0B 1B 84 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000284193B20A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000284193A66C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000284193B6760, 16 bytes long.
 Data: <&#184;n; &#132;           > B8 6E 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000284193B6710, 16 bytes long.
 Data: < n; &#132;           > 90 6E 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000284193AE360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000284193B62B0, 16 bytes long.
 Data: <hn; &#132;           > 68 6E 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000284193B6580, 16 bytes long.
 Data: <@n; &#132;           > 40 6E 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000284193B6170, 16 bytes long.
 Data: < n; &#132;           > 18 6E 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000284193B5BD0, 16 bytes long.
 Data: <&#240;m; &#132;           > F0 6D 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000284193B52D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000284193B64E0, 16 bytes long.
 Data: <H&#149;: &#132;           > 48 95 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000284193ADE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000284193B60D0, 16 bytes long.
 Data: < &#149;: &#132;           > 20 95 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000284193B63A0, 16 bytes long.
 Data: <&#248;&#148;: &#132;           > F8 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000284193B6490, 16 bytes long.
 Data: <&#208;&#148;: &#132;           > D0 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000284193B6260, 16 bytes long.
 Data: <&#168;&#148;: &#132;           > A8 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000284193B5D10, 16 bytes long.
 Data: < &#148;: &#132;           > 80 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000284193B6080, 16 bytes long.
 Data: <X&#148;: &#132;           > 58 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000284193AD760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000284193B6850, 16 bytes long.
 Data: <0&#148;: &#132;           > 30 94 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000284193A9430, 320 bytes long.
 Data: <Ph; &#132;   `&#215;: &#132;   > 50 68 3B 19 84 02 00 00 60 D7 3A 19 84 02 00 00 
{276} normal block at 0x00000284193B6300, 16 bytes long.
 Data: <&#208;m; &#132;           > D0 6D 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000284193B61C0, 16 bytes long.
 Data: <&#168;m; &#132;           > A8 6D 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000284193AE120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000284193B67B0, 16 bytes long.
 Data: < m; &#132;           > 80 6D 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000284193ADE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000284193B5CC0, 16 bytes long.
 Data: <&#200;l; &#132;           > C8 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000284193B6440, 16 bytes long.
 Data: <&#160;l; &#132;           > A0 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000284193B5C70, 16 bytes long.
 Data: <xl; &#132;           > 78 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000284193B5EA0, 16 bytes long.
 Data: <Pl; &#132;           > 50 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000284193B68A0, 16 bytes long.
 Data: <(l; &#132;           > 28 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000284193B6B20, 16 bytes long.
 Data: < l; &#132;           > 00 6C 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000284193B5EF0, 16 bytes long.
 Data: < U; &#132;           > 00 55 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000284193B5500, 40 bytes long.
 Data: <&#240;^; &#132;   &#224;R  &#132;   > F0 5E 3B 19 84 02 00 00 E0 52 05 1B 84 02 00 00 
{262} normal block at 0x00000284193B68F0, 16 bytes long.
 Data: <&#224;k; &#132;           > E0 6B 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000284193B6350, 16 bytes long.
 Data: <&#184;k; &#132;           > B8 6B 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000284193ADA60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000284193B63F0, 16 bytes long.
 Data: < k; &#132;           > 90 6B 3B 19 84 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000284193B6B90, 992 bytes long.
 Data: <&#240;c; &#132;   `&#218;: &#132;   > F0 63 3B 19 84 02 00 00 60 DA 3A 19 84 02 00 00 
{94} normal block at 0x00000284193AD940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000284193B0280, 16 bytes long.
 Data: <`&#243;: &#132;           > 60 F3 3A 19 84 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000284193AF360, 40 bytes long.
 Data: <  ; &#132;   @&#217;: &#132;   > 80 02 3B 19 84 02 00 00 40 D9 3A 19 84 02 00 00 
{71} normal block at 0x00000284193AFA60, 16 bytes long.
 Data: < &#234;&#178;	&#246;           > 80 EA B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000284193AFD30, 16 bytes long.
 Data: <@&#233;&#178;	&#246;           > 40 E9 B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000284193B0370, 16 bytes long.
 Data: <&#248;W&#175;	&#246;           > F8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000284193B0500, 16 bytes long.
 Data: <&#216;W&#175;	&#246;           > D8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000284193B06E0, 16 bytes long.
 Data: <P &#175;	&#246;           > 50 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000284193B04B0, 16 bytes long.
 Data: <0 &#175;	&#246;           > 30 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000284193B0190, 16 bytes long.
 Data: <&#224; &#175;	&#246;           > E0 02 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000284193B0690, 16 bytes long.
 Data: <  &#175;	&#246;           > 10 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000284193AFA10, 16 bytes long.
 Data: <p &#175;	&#246;           > 70 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000284193B0460, 16 bytes long.
 Data: < &#192;&#173;	&#246;           > 18 C0 AD 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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