Task 38696114

Name test_354-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9101_0
Workunit 31636765
Created 31 Oct 2026, 19:19:06 UTC
Sent 31 Oct 2026, 19:19:08 UTC
Report deadline 5 Nov 2026, 19:19:08 UTC
Received 31 Oct 2026, 19:46:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648017
Run time 22 min 56 sec
CPU time 20 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.50 MB
Peak swap size 10.12 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:23:05 (28988): wrapper (7.9.26016): starting
20:23:05 (28988): 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
20:23:07 (28988): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:23:07 (28988): 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
20:45:20 (28988): C:/Windows/system32/cmd.exe exited; CPU time 1216.031250
20:45:20 (28988): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 19710111 bytes.
Dumping objects ->
{3835522} normal block at 0x000002DC9E6B0C80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000002DC9E6B0CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000002DC9E6B0270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835489} normal block at 0x000002DC9C997120, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000002DC9C996FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835447} normal block at 0x000002DC9E6FC490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002DC9E60CE50, 139 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) : {3835432} normal block at 0x000002DC9C991320, 8 bytes long.
 Data: <  &#148;&#156;&#220;   > 00 00 94 9C DC 02 00 00 
{3834683} normal block at 0x000002DC9E60D330, 139 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002DC9C9919B0, 8 bytes long.
 Data: <&#224;&#235;&#151;&#156;&#220;   > E0 EB 97 9C DC 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002DC9C98C370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DC9C986400, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002DC9C998F30, 16 bytes long.
 Data: <&#232;&#159; &#156;&#220;           > E8 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002DC9C9992A0, 16 bytes long.
 Data: <&#192;&#159; &#156;&#220;           > C0 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DC9C994750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002DC9C998E90, 16 bytes long.
 Data: < &#159; &#156;&#220;           > 98 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DC9C998E40, 16 bytes long.
 Data: <p&#159; &#156;&#220;           > 70 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DC9C998D50, 16 bytes long.
 Data: <H&#159; &#156;&#220;           > 48 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002DC9C998FD0, 16 bytes long.
 Data: < &#159; &#156;&#220;           > 20 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DC9C997580, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002DC9C998D00, 16 bytes long.
 Data: <XO &#156;&#220;           > 58 4F 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DC9C994210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002DC9C999660, 16 bytes long.
 Data: <0O &#156;&#220;           > 30 4F 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DC9C999110, 16 bytes long.
 Data: < O &#156;&#220;           > 08 4F 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002DC9C9997A0, 16 bytes long.
 Data: <&#224;N &#156;&#220;           > E0 4E 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002DC9C999610, 16 bytes long.
 Data: <&#184;N &#156;&#220;           > B8 4E 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002DC9C999980, 16 bytes long.
 Data: < N &#156;&#220;           > 90 4E 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DC9C999A20, 16 bytes long.
 Data: <hN &#156;&#220;           > 68 4E 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DC9C994930, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002DC9C999250, 16 bytes long.
 Data: <@N &#156;&#220;           > 40 4E 98 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DC9C984E40, 320 bytes long.
 Data: <P&#146; &#156;&#220;   0I &#156;&#220;   > 50 92 99 9C DC 02 00 00 30 49 99 9C DC 02 00 00 
{271} normal block at 0x000002DC9C9999D0, 16 bytes long.
 Data: < &#159; &#156;&#220;           > 00 9F 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002DC9C998EE0, 16 bytes long.
 Data: <&#216;&#158; &#156;&#220;           > D8 9E 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DC9C994A50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002DC9C999700, 16 bytes long.
 Data: <&#176;&#158; &#156;&#220;           > B0 9E 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002DC9C994870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002DC9C9997F0, 16 bytes long.
 Data: <&#248;  &#156;&#220;           > F8 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002DC9C998DF0, 16 bytes long.
 Data: <&#208;  &#156;&#220;           > D0 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002DC9C999C00, 16 bytes long.
 Data: <&#168;  &#156;&#220;           > A8 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002DC9C999B60, 16 bytes long.
 Data: <   &#156;&#220;           > 80 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002DC9C9995C0, 16 bytes long.
 Data: <X  &#156;&#220;           > 58 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002DC9C999200, 16 bytes long.
 Data: <0  &#156;&#220;           > 30 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002DC9C999BB0, 16 bytes long.
 Data: < u &#156;&#220;           > 10 75 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002DC9C997510, 40 bytes long.
 Data: <&#176;&#155; &#156;&#220;    &#196;o&#158;&#220;   > B0 9B 99 9C DC 02 00 00 90 C4 6F 9E DC 02 00 00 
{257} normal block at 0x000002DC9C999520, 16 bytes long.
 Data: <   &#156;&#220;           > 10 9D 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002DC9C999570, 16 bytes long.
 Data: <&#232;&#156; &#156;&#220;           > E8 9C 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002DC9C9945D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002DC9C999A70, 16 bytes long.
 Data: <&#192;&#156; &#156;&#220;           > C0 9C 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002DC9C999CC0, 992 bytes long.
 Data: <p&#154; &#156;&#220;   &#208;E &#156;&#220;   > 70 9A 99 9C DC 02 00 00 D0 45 99 9C DC 02 00 00 
{89} normal block at 0x000002DC9C9941B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002DC9C991140, 16 bytes long.
 Data: < r &#156;&#220;           > 00 72 99 9C DC 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002DC9C997200, 40 bytes long.
 Data: <@  &#156;&#220;   &#176;A &#156;&#220;   > 40 11 99 9C DC 02 00 00 B0 41 99 9C DC 02 00 00 
{66} normal block at 0x000002DC9C991640, 16 bytes long.
 Data: < &#234;&#196;P&#246;           > 80 EA C4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002DC9C991410, 16 bytes long.
 Data: <@&#233;&#196;P&#246;           > 40 E9 C4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002DC9C991370, 16 bytes long.
 Data: <&#248;W&#193;P&#246;           > F8 57 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002DC9C990E20, 16 bytes long.
 Data: <&#216;W&#193;P&#246;           > D8 57 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002DC9C9910A0, 16 bytes long.
 Data: <P &#193;P&#246;           > 50 04 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002DC9C991910, 16 bytes long.
 Data: <0 &#193;P&#246;           > 30 04 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002DC9C990DD0, 16 bytes long.
 Data: <&#224; &#193;P&#246;           > E0 02 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002DC9C991050, 16 bytes long.
 Data: <  &#193;P&#246;           > 10 04 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002DC9C990E70, 16 bytes long.
 Data: <p &#193;P&#246;           > 70 04 C1 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002DC9C991230, 16 bytes long.
 Data: < &#192;&#191;P&#246;           > 18 C0 BF 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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