Task 38662416

Name test_202-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7171_0
Workunit 31605677
Created 24 Oct 2026, 19:05:52 UTC
Sent 24 Oct 2026, 19:06:29 UTC
Report deadline 29 Oct 2026, 19:06:29 UTC
Received 25 Oct 2026, 13:47:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 21 min 2 sec
CPU time 19 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.28 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:27:36 (30460): wrapper (7.9.26016): starting
13:27:36 (30460): 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
13:27:37 (30460): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:27:37 (30460): 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:\Boinc\data\slots\36\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:\Boinc\data\slots\36\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
13:47:23 (30460): C:/Windows/system32/cmd.exe exited; CPU time 1164.968750
13:47:23 (30460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 28951518 bytes.
Dumping objects ->
{3835279} normal block at 0x0000020A7D0D48C0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x0000020A7EE36DD0, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x0000020A7EE36D70, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x0000020A7EE36F50, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x0000020A7EE36BF0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x0000020A7D0D47E0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x0000020A7EDFCB20, 85 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) : {3835190} normal block at 0x0000020A7D0CF5A0, 8 bytes long.
 Data: <  J}    > 00 00 4A 7D 0A 02 00 00 
{3834567} normal block at 0x0000020A7EDFDAC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000020A7D0CE8D0, 8 bytes long.
 Data: < :&#228;~    > 00 3A E4 7E 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020A7D0D0AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A7D0C6B90, 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 0x0000020A7D0D59C0, 16 bytes long.
 Data: <hf }            > 68 66 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020A7D0D5BF0, 16 bytes long.
 Data: <@f }            > 40 66 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A7D0D0380, 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 0x0000020A7D0D5FB0, 16 bytes long.
 Data: < f }            > 18 66 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A7D0D5AB0, 16 bytes long.
 Data: <&#240;e }            > F0 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A7D0D58D0, 16 bytes long.
 Data: <&#200;e }            > C8 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020A7D0D56A0, 16 bytes long.
 Data: <&#160;e }            > A0 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A7D0D4930, 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 0x0000020A7D0D54C0, 16 bytes long.
 Data: < &#182; }            > 18 B6 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020A7D0D0560, 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 0x0000020A7D0D5920, 16 bytes long.
 Data: <&#240;&#181; }            > F0 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A7D0D60A0, 16 bytes long.
 Data: <&#200;&#181; }            > C8 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A7D0D5560, 16 bytes long.
 Data: <&#160;&#181; }            > A0 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A7D0D5EC0, 16 bytes long.
 Data: <x&#181; }            > 78 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A7D0D62D0, 16 bytes long.
 Data: <P&#181; }            > 50 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020A7D0D5650, 16 bytes long.
 Data: <(&#181; }            > 28 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A7D0D0200, 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 0x0000020A7D0D5470, 16 bytes long.
 Data: < &#181; }            > 00 B5 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A7D0BB500, 320 bytes long.
 Data: <pT }       }    > 70 54 0D 7D 0A 02 00 00 00 02 0D 7D 0A 02 00 00 
{276} normal block at 0x0000020A7D0D5420, 16 bytes long.
 Data: < e }            > 80 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020A7D0D5CE0, 16 bytes long.
 Data: <Xe }            > 58 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A7D0D0620, 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 0x0000020A7D0D5790, 16 bytes long.
 Data: <0e }            > 30 65 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A7D0D0680, 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 0x0000020A7D0D5E70, 16 bytes long.
 Data: <xd }            > 78 64 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A7D0D5970, 16 bytes long.
 Data: <Pd }            > 50 64 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A7D0D5BA0, 16 bytes long.
 Data: <(d }            > 28 64 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020A7D0D5D80, 16 bytes long.
 Data: < d }            > 00 64 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020A7D0D5C90, 16 bytes long.
 Data: <&#216;c }            > D8 63 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A7D0D6280, 16 bytes long.
 Data: <&#176;c }            > B0 63 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020A7D0D5380, 16 bytes long.
 Data: <@L }            > 40 4C 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A7D0D4C40, 40 bytes long.
 Data: < S }    &#224;G }    > 80 53 0D 7D 0A 02 00 00 E0 47 0D 7D 0A 02 00 00 
{262} normal block at 0x0000020A7D0D5DD0, 16 bytes long.
 Data: < c }            > 90 63 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020A7D0D6050, 16 bytes long.
 Data: <hc }            > 68 63 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A7D0CFE40, 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 0x0000020A7D0D6000, 16 bytes long.
 Data: <@c }            > 40 63 0D 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020A7D0D6340, 992 bytes long.
 Data: < ` }    @&#254; }    > 00 60 0D 7D 0A 02 00 00 40 FE 0C 7D 0A 02 00 00 
{94} normal block at 0x0000020A7D0CF960, 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 0x0000020A7D0CF320, 16 bytes long.
 Data: <&#192;&#239; }            > C0 EF 0B 7D 0A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020A7D0BEFC0, 40 bytes long.
 Data: < &#243; }    `&#249; }    > 20 F3 0C 7D 0A 02 00 00 60 F9 0C 7D 0A 02 00 00 
{71} normal block at 0x0000020A7D0CEC40, 16 bytes long.
 Data: < &#234;&#215;>&#246;           > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A7D0CF460, 16 bytes long.
 Data: <@&#233;&#215;>&#246;           > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A7D0CE9C0, 16 bytes long.
 Data: <&#248;W&#212;>&#246;           > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A7D0CF1E0, 16 bytes long.
 Data: <&#216;W&#212;>&#246;           > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A7D0CF730, 16 bytes long.
 Data: <P &#212;>&#246;           > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A7D0CEAB0, 16 bytes long.
 Data: <0 &#212;>&#246;           > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A7D0CF410, 16 bytes long.
 Data: <&#224; &#212;>&#246;           > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A7D0CEE20, 16 bytes long.
 Data: <  &#212;>&#246;           > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020A7D0CEBA0, 16 bytes long.
 Data: <p &#212;>&#246;           > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020A7D0CF3C0, 16 bytes long.
 Data: < &#192;&#210;>&#246;           > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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