Task 38655559

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4161_0
Workunit 31599312
Created 24 Oct 2026, 9:41:33 UTC
Sent 24 Oct 2026, 9:41:36 UTC
Report deadline 29 Oct 2026, 9:41:36 UTC
Received 24 Oct 2026, 11:42:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 39 min 55 sec
CPU time 38 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.04 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:02:49 (32856): wrapper (7.9.26016): starting
06:02:49 (32856): 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
06:02:50 (32856): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:02:50 (32856): 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
06:42:23 (32856): C:/Windows/system32/cmd.exe exited; CPU time 2296.859375
06:42:23 (32856): 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: 49914949 bytes.
Dumping objects ->
{3835276} normal block at 0x0000022CCE4AF030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000022CCE4AF180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000022CCE4AF570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000022CCC757210, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000022CCC7571A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000022CCE4F6990, 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) : {3835188} normal block at 0x0000022CCC74D8B0, 8 bytes long.
 Data: <  &#200;&#204;,   > 00 00 C8 CC 2C 02 00 00 
{3833963} normal block at 0x0000022CCC74DF40, 8 bytes long.
 Data: <p[X&#206;,   > 70 5B 58 CE 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022CCC751B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022CCC7463D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022CCC757970, 16 bytes long.
 Data: <&#184;&#139;u&#204;,           > B8 8B 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022CCC757F10, 16 bytes long.
 Data: < &#139;u&#204;,           > 90 8B 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022CCC7501C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022CCC758730, 16 bytes long.
 Data: <h&#139;u&#204;,           > 68 8B 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022CCC758500, 16 bytes long.
 Data: <@&#139;u&#204;,           > 40 8B 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022CCC7578D0, 16 bytes long.
 Data: < &#139;u&#204;,           > 18 8B 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022CCC758050, 16 bytes long.
 Data: <&#240;&#138;u&#204;,           > F0 8A 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022CCC757360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022CCC757B50, 16 bytes long.
 Data: <(&#149;t&#204;,           > 28 95 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022CCC74FE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022CCC757E20, 16 bytes long.
 Data: < &#149;t&#204;,           > 00 95 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022CCC7586E0, 16 bytes long.
 Data: <&#216;&#148;t&#204;,           > D8 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022CCC758820, 16 bytes long.
 Data: <&#176;&#148;t&#204;,           > B0 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022CCC758640, 16 bytes long.
 Data: < &#148;t&#204;,           > 88 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022CCC757D80, 16 bytes long.
 Data: <`&#148;t&#204;,           > 60 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022CCC758190, 16 bytes long.
 Data: <8&#148;t&#204;,           > 38 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022CCC74FDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022CCC757D30, 16 bytes long.
 Data: < &#148;t&#204;,           > 10 94 74 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022CCC749410, 320 bytes long.
 Data: <0}u&#204;,   &#160;&#253;t&#204;,   > 30 7D 75 CC 2C 02 00 00 A0 FD 74 CC 2C 02 00 00 
{277} normal block at 0x0000022CCC7587D0, 16 bytes long.
 Data: <&#208;&#138;u&#204;,           > D0 8A 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022CCC757B00, 16 bytes long.
 Data: <&#168;&#138;u&#204;,           > A8 8A 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022CCC750280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022CCC757AB0, 16 bytes long.
 Data: < &#138;u&#204;,           > 80 8A 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022CCC74FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000022CCC757C40, 16 bytes long.
 Data: <&#200;&#137;u&#204;,           > C8 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022CCC7584B0, 16 bytes long.
 Data: <&#160;&#137;u&#204;,           > A0 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022CCC7585A0, 16 bytes long.
 Data: <x&#137;u&#204;,           > 78 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022CCC757EC0, 16 bytes long.
 Data: <P&#137;u&#204;,           > 50 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022CCC758000, 16 bytes long.
 Data: <(&#137;u&#204;,           > 28 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022CCC758550, 16 bytes long.
 Data: < &#137;u&#204;,           > 00 89 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022CCC7582D0, 16 bytes long.
 Data: <&#240;ru&#204;,           > F0 72 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022CCC7572F0, 40 bytes long.
 Data: <&#208;&#130;u&#204;,    iO&#206;,   > D0 82 75 CC 2C 02 00 00 90 69 4F CE 2C 02 00 00 
{263} normal block at 0x0000022CCC757E70, 16 bytes long.
 Data: <&#224; u&#204;,           > E0 88 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022CCC758140, 16 bytes long.
 Data: <&#184; u&#204;,           > B8 88 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022CCC750160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000022CCC757BA0, 16 bytes long.
 Data: <  u&#204;,           > 90 88 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022CCC758890, 992 bytes long.
 Data: <&#160;{u&#204;,   ` u&#204;,   > A0 7B 75 CC 2C 02 00 00 60 01 75 CC 2C 02 00 00 
{95} normal block at 0x0000022CCC74F9E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000022CCC74D900, 16 bytes long.
 Data: < uu&#204;,           > 90 75 75 CC 2C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022CCC757590, 40 bytes long.
 Data: < &#217;t&#204;,   &#224;&#249;t&#204;,   > 00 D9 74 CC 2C 02 00 00 E0 F9 74 CC 2C 02 00 00 
{72} normal block at 0x0000022CCC74E3F0, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022CCC74DE00, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022CCC74DEF0, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022CCC74E580, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022CCC74DD60, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022CCC74E530, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022CCC74DDB0, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022CCC74DEA0, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022CCC74E4E0, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022CCC74E260, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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