Task 38674830

Name test_314-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0723_1
Workunit 31616815
Created 26 Oct 2026, 6:27:41 UTC
Sent 26 Oct 2026, 6:27:52 UTC
Report deadline 31 Oct 2026, 6:27:52 UTC
Received 26 Oct 2026, 7:51:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648094
Run time 20 min 44 sec
CPU time 19 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.57 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:27:49 (13232): wrapper (7.9.26016): starting
02:27:49 (13232): 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
02:27:50 (13232): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:27:50 (13232): 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
02:47:59 (13232): C:/Windows/system32/cmd.exe exited; CPU time 1179.671875
02:47:59 (13232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14605463 bytes.
Dumping objects ->
{3835569} normal block at 0x00000198C21343E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000198C2134370, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000198C2133D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000198C2134300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000198C2133CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x00000198C3E54E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x00000198C220ED10, 235 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) : {3835480} normal block at 0x00000198C212ECB0, 8 bytes long.
 Data: <  R&#194;    > 00 00 52 C2 98 01 00 00 
{3834703} normal block at 0x00000198C220EBE0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000198C212EA80, 8 bytes long.
 Data: < E&#235;&#195;    > 10 45 EB C3 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000198C2130690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000198C21266F0, 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 0x00000198C2134A30, 16 bytes long.
 Data: <X] &#194;            > 58 5D 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000198C2134B20, 16 bytes long.
 Data: <0] &#194;            > 30 5D 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000198C212F860, 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 0x00000198C2134E40, 16 bytes long.
 Data: < ] &#194;            > 08 5D 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000198C2134D00, 16 bytes long.
 Data: <&#224;\ &#194;            > E0 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000198C21348F0, 16 bytes long.
 Data: <&#184;\ &#194;            > B8 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000198C2134670, 16 bytes long.
 Data: < \ &#194;            > 90 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000198C2128E90, 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 0x00000198C2134B70, 16 bytes long.
 Data: <(&#142; &#194;            > 28 8E 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000198C212F7A0, 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 0x00000198C2134CB0, 16 bytes long.
 Data: < &#142; &#194;            > 00 8E 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000198C2134940, 16 bytes long.
 Data: <&#216;  &#194;            > D8 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000198C2135430, 16 bytes long.
 Data: <&#176;  &#194;            > B0 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000198C2134760, 16 bytes long.
 Data: <   &#194;            > 88 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000198C2134800, 16 bytes long.
 Data: <`  &#194;            > 60 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000198C2135070, 16 bytes long.
 Data: <8  &#194;            > 38 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000198C212F3E0, 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 0x00000198C2135250, 16 bytes long.
 Data: <   &#194;            > 10 8D 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000198C2128D10, 320 bytes long.
 Data: <PR &#194;    &#224;&#243; &#194;    > 50 52 13 C2 98 01 00 00 E0 F3 12 C2 98 01 00 00 
{273} normal block at 0x00000198C2135110, 16 bytes long.
 Data: <p\ &#194;            > 70 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000198C2135160, 16 bytes long.
 Data: <H\ &#194;            > 48 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000198C212FEC0, 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 0x00000198C21348A0, 16 bytes long.
 Data: < \ &#194;            > 20 5C 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000198C212F380, 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 0x00000198C21352A0, 16 bytes long.
 Data: <h[ &#194;            > 68 5B 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000198C2135200, 16 bytes long.
 Data: <@[ &#194;            > 40 5B 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000198C2135520, 16 bytes long.
 Data: < [ &#194;            > 18 5B 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000198C2134F80, 16 bytes long.
 Data: <&#240;Z &#194;            > F0 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000198C2135390, 16 bytes long.
 Data: <&#200;Z &#194;            > C8 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000198C2134C60, 16 bytes long.
 Data: <&#160;Z &#194;            > A0 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000198C2134C10, 16 bytes long.
 Data: <&#192;4 &#194;            > C0 34 12 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000198C21234C0, 40 bytes long.
 Data: < L &#194;    0N&#229;&#195;    > 10 4C 13 C2 98 01 00 00 30 4E E5 C3 98 01 00 00 
{259} normal block at 0x00000198C21350C0, 16 bytes long.
 Data: < Z &#194;            > 80 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000198C21355C0, 16 bytes long.
 Data: <XZ &#194;            > 58 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000198C21300A0, 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 0x00000198C2134D50, 16 bytes long.
 Data: <0Z &#194;            > 30 5A 13 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000198C2135A30, 992 bytes long.
 Data: <PM &#194;    &#160;  &#194;    > 50 4D 13 C2 98 01 00 00 A0 00 13 C2 98 01 00 00 
{91} normal block at 0x00000198C212F500, 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 0x00000198C212EB20, 16 bytes long.
 Data: <&#160;&#219; &#194;            > A0 DB 11 C2 98 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000198C211DBA0, 40 bytes long.
 Data: < &#235; &#194;     &#245; &#194;    > 20 EB 12 C2 98 01 00 00 00 F5 12 C2 98 01 00 00 
{68} normal block at 0x00000198C212EF30, 16 bytes long.
 Data: < &#234; &#222;&#246;           > 80 EA 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000198C212E800, 16 bytes long.
 Data: <@&#233; &#222;&#246;           > 40 E9 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000198C212E5D0, 16 bytes long.
 Data: <&#248;W &#222;&#246;           > F8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000198C212EAD0, 16 bytes long.
 Data: <&#216;W &#222;&#246;           > D8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000198C212F110, 16 bytes long.
 Data: <P  &#222;&#246;           > 50 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000198C212E8F0, 16 bytes long.
 Data: <0  &#222;&#246;           > 30 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000198C212E990, 16 bytes long.
 Data: <&#224;  &#222;&#246;           > E0 02 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000198C212E350, 16 bytes long.
 Data: <   &#222;&#246;           > 10 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000198C212EF80, 16 bytes long.
 Data: <p  &#222;&#246;           > 70 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000198C212ED00, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 0A DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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