Task 38676387

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2094_0
Workunit 31618308
Created 26 Oct 2026, 11:11:28 UTC
Sent 26 Oct 2026, 11:11:32 UTC
Report deadline 31 Oct 2026, 11:11:32 UTC
Received 26 Oct 2026, 13:25:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 44 min 37 sec
CPU time 40 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.70 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:41:56 (30724): wrapper (7.9.26016): starting
13:41:56 (30724): 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
13:41:58 (30724): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:41:58 (30724): 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\5\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\5\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
14:25:17 (30724): C:/Windows/system32/cmd.exe exited; CPU time 2439.312500
14:25:17 (30724): 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: 51332123 bytes.
Dumping objects ->
{3835277} normal block at 0x00000234564DDCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000234564DDD50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x00000234564DDDC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x00000234564DE300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000023456407520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002345808F870, 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) : {3835189} normal block at 0x00000234563FC290, 8 bytes long.
 Data: <  :V4   > 00 00 3A 56 34 02 00 00 
{3833985} normal block at 0x00000234563FBE80, 8 bytes long.
 Data: < &#195; X4   > 10 C3 12 58 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000023456401B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000234563F8CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x00000234564085F0, 16 bytes long.
 Data: <8&#139;@V4           > 38 8B 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000023456407790, 16 bytes long.
 Data: < &#139;@V4           > 10 8B 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000023456403A00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000023456407F10, 16 bytes long.
 Data: <&#232;&#138;@V4           > E8 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000023456407B50, 16 bytes long.
 Data: <&#192;&#138;@V4           > C0 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000023456408410, 16 bytes long.
 Data: < &#138;@V4           > 98 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023456407740, 16 bytes long.
 Data: <p&#138;@V4           > 70 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023456406F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000023456407CE0, 16 bytes long.
 Data: <( ?V4           > 28 07 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023456404120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000023456408000, 16 bytes long.
 Data: <  ?V4           > 00 07 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023456407880, 16 bytes long.
 Data: <&#216; ?V4           > D8 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023456407D80, 16 bytes long.
 Data: <&#176; ?V4           > B0 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023456408320, 16 bytes long.
 Data: <  ?V4           > 88 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023456407B00, 16 bytes long.
 Data: <` ?V4           > 60 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023456407F60, 16 bytes long.
 Data: <8 ?V4           > 38 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023456403700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x00000234564085A0, 16 bytes long.
 Data: <  ?V4           > 10 06 3F 56 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000234563F0610, 320 bytes long.
 Data: <&#160;&#133;@V4    7@V4   > A0 85 40 56 34 02 00 00 00 37 40 56 34 02 00 00 
{288} normal block at 0x00000234564079C0, 16 bytes long.
 Data: <P&#138;@V4           > 50 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023456407EC0, 16 bytes long.
 Data: <(&#138;@V4           > 28 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023456403940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000023456407830, 16 bytes long.
 Data: < &#138;@V4           > 00 8A 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023456403D60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000023456407AB0, 16 bytes long.
 Data: <H&#137;@V4           > 48 89 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234564082D0, 16 bytes long.
 Data: < &#137;@V4           > 20 89 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234564076A0, 16 bytes long.
 Data: <&#248; @V4           > F8 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023456408370, 16 bytes long.
 Data: <&#208; @V4           > D0 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023456408140, 16 bytes long.
 Data: <&#168; @V4           > A8 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000234564080F0, 16 bytes long.
 Data: <  @V4           > 80 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023456408550, 16 bytes long.
 Data: <&#224;o@V4           > E0 6F 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023456406FE0, 40 bytes long.
 Data: <P&#133;@V4   p&#248; X4   > 50 85 40 56 34 02 00 00 70 F8 08 58 34 02 00 00 
{274} normal block at 0x00000234564084B0, 16 bytes long.
 Data: <` @V4           > 60 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023456408500, 16 bytes long.
 Data: <8 @V4           > 38 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023456404240, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000023456407970, 16 bytes long.
 Data: <  @V4           > 10 88 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023456408810, 992 bytes long.
 Data: <py@V4   @B@V4   > 70 79 40 56 34 02 00 00 40 42 40 56 34 02 00 00 
{106} normal block at 0x00000234564039A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x00000234563FC470, 16 bytes long.
 Data: < o@V4           > 00 6F 40 56 34 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000023456406F00, 40 bytes long.
 Data: <p&#196;?V4   &#160;9@V4   > 70 C4 3F 56 34 02 00 00 A0 39 40 56 34 02 00 00 
{83} normal block at 0x00000234563FC740, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000234563FCAB0, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000234563FC010, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000234563FC510, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000234563FCA10, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000234563FC1F0, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000234563FC6A0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000234563FBFC0, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000234563FCBA0, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000234563FC150, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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