Task 38666976

Name test_611-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2121_3
Workunit 31608538
Created 25 Oct 2026, 5:42:35 UTC
Sent 25 Oct 2026, 5:43:13 UTC
Report deadline 30 Oct 2026, 5:43:13 UTC
Received 25 Oct 2026, 8:50:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 2 hours 37 min 32 sec
CPU time 2 hours 37 min 32 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.29 MB
Peak swap size 10.01 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:13:30 (22424): wrapper (7.9.26016): starting
02:13:30 (22424): 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
02:13:31 (22424): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:13:31 (22424): 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
04:48:49 (22424): C:/Windows/system32/cmd.exe exited; CPU time 9452.187500
04:48:49 (22424): 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: 183903767 bytes.
Dumping objects ->
{3835270} normal block at 0x0000024387D73CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000024386094F70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000024386094BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000243860948E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000024386094F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000024387D15480, 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) : {3835182} normal block at 0x000002438608EF70, 8 bytes long.
 Data: <  F&#134;C   > 00 00 46 86 43 02 00 00 
{3833955} normal block at 0x000002438608F7E0, 8 bytes long.
 Data: <&#176;&#192; &#134;C   > B0 C0 0B 86 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000243860915D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000243860861C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000024386095CA0, 16 bytes long.
 Data: <hg	&#134;C           > 68 67 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024386095C50, 16 bytes long.
 Data: <@g	&#134;C           > 40 67 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024386090000, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000243860963D0, 16 bytes long.
 Data: < g	&#134;C           > 18 67 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024386095AC0, 16 bytes long.
 Data: <&#240;f	&#134;C           > F0 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024386096330, 16 bytes long.
 Data: <&#200;f	&#134;C           > C8 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024386095A70, 16 bytes long.
 Data: <&#160;f	&#134;C           > A0 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024386094E90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000243860959D0, 16 bytes long.
 Data: <H  &#134;C           > 48 90 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002438608FFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000243860961A0, 16 bytes long.
 Data: <   &#134;C           > 20 90 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024386095980, 16 bytes long.
 Data: <&#248;  &#134;C           > F8 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024386095930, 16 bytes long.
 Data: <&#208;  &#134;C           > D0 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024386095C00, 16 bytes long.
 Data: <&#168;  &#134;C           > A8 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024386095890, 16 bytes long.
 Data: <   &#134;C           > 80 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024386096100, 16 bytes long.
 Data: <X  &#134;C           > 58 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024386090180, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000024386095E80, 16 bytes long.
 Data: <0  &#134;C           > 30 8F 08 86 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024386088F30, 320 bytes long.
 Data: < ^	&#134;C     	&#134;C   > 80 5E 09 86 43 02 00 00 80 01 09 86 43 02 00 00 
{273} normal block at 0x00000243860957A0, 16 bytes long.
 Data: < f	&#134;C           > 80 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024386096010, 16 bytes long.
 Data: <Xf	&#134;C           > 58 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024386090120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000024386095FC0, 16 bytes long.
 Data: <0f	&#134;C           > 30 66 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024386090720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000024386095750, 16 bytes long.
 Data: <xe	&#134;C           > 78 65 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024386095E30, 16 bytes long.
 Data: <Pe	&#134;C           > 50 65 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024386095A20, 16 bytes long.
 Data: <(e	&#134;C           > 28 65 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000243860958E0, 16 bytes long.
 Data: < e	&#134;C           > 00 65 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024386095700, 16 bytes long.
 Data: <&#216;d	&#134;C           > D8 64 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024386095660, 16 bytes long.
 Data: <&#176;d	&#134;C           > B0 64 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000243860956B0, 16 bytes long.
 Data: < N	&#134;C           > 20 4E 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024386094E20, 40 bytes long.
 Data: <&#176;V	&#134;C    T&#209;&#135;C   > B0 56 09 86 43 02 00 00 80 54 D1 87 43 02 00 00 
{259} normal block at 0x0000024386095F20, 16 bytes long.
 Data: < d	&#134;C           > 90 64 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024386095840, 16 bytes long.
 Data: <hd	&#134;C           > 68 64 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002438608FB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000243860955C0, 16 bytes long.
 Data: <@d	&#134;C           > 40 64 09 86 43 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024386096440, 992 bytes long.
 Data: <&#192;U	&#134;C    &#251; &#134;C   > C0 55 09 86 43 02 00 00 20 FB 08 86 43 02 00 00 
{91} normal block at 0x00000243860905A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002438608F290, 16 bytes long.
 Data: < &#243; &#134;C           > 90 F3 07 86 43 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002438607F390, 40 bytes long.
 Data: < &#242; &#134;C   &#160; 	&#134;C   > 90 F2 08 86 43 02 00 00 A0 05 09 86 43 02 00 00 
{68} normal block at 0x000002438608F830, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002438608F1A0, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002438608ED40, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002438608F380, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002438608F0B0, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002438608F600, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002438608F740, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002438608F150, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002438608F510, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002438608F470, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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