Task 38666953

Name test_395-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND6872_0
Workunit 31609675
Created 25 Oct 2026, 5:37:53 UTC
Sent 25 Oct 2026, 5:38:03 UTC
Report deadline 30 Oct 2026, 5:38:03 UTC
Received 25 Oct 2026, 12:41:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 23 min
CPU time 21 min 39 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 741.20 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:19:36 (33208): wrapper (7.9.26016): starting
06:19:36 (33208): 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
06:19:37 (33208): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:19:37 (33208): 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\6\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\6\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
06:41:32 (33208): C:/Windows/system32/cmd.exe exited; CPU time 1299.890625
06:41:32 (33208): 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: 33692645 bytes.
Dumping objects ->
{3835217} normal block at 0x000001BA19195710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001BA19195A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001BA191959B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001BA191957F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001BA191956A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001BA1B00C110, 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) : {3835129} normal block at 0x000001BA1918E660, 8 bytes long.
 Data: <  f &#186;   > 00 00 66 19 BA 01 00 00 
{3833963} normal block at 0x000001BA1918E930, 8 bytes long.
 Data: <  &#249; &#186;   > 80 11 F9 1A BA 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BA191916A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BA191867C0, 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 0x000001BA19196B00, 16 bytes long.
 Data: <&#248;r  &#186;           > F8 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BA19196560, 16 bytes long.
 Data: <&#208;r  &#186;           > D0 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BA19190350, 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 0x000001BA19196AB0, 16 bytes long.
 Data: <&#168;r  &#186;           > A8 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BA19196F10, 16 bytes long.
 Data: < r  &#186;           > 80 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BA19196CE0, 16 bytes long.
 Data: <Xr  &#186;           > 58 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BA191964C0, 16 bytes long.
 Data: <0r  &#186;           > 30 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BA19195470, 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 0x000001BA191967E0, 16 bytes long.
 Data: < &#240;  &#186;           > 88 F0 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BA19190C50, 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 0x000001BA191968D0, 16 bytes long.
 Data: <`&#240;  &#186;           > 60 F0 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BA19196510, 16 bytes long.
 Data: <8&#240;  &#186;           > 38 F0 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BA19196BA0, 16 bytes long.
 Data: < &#240;  &#186;           > 10 F0 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BA19196E70, 16 bytes long.
 Data: <&#232;&#239;  &#186;           > E8 EF 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BA19196470, 16 bytes long.
 Data: <&#192;&#239;  &#186;           > C0 EF 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BA19196A60, 16 bytes long.
 Data: < &#239;  &#186;           > 98 EF 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BA191908F0, 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 0x000001BA19196420, 16 bytes long.
 Data: <p&#239;  &#186;           > 70 EF 17 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BA1917EF70, 320 bytes long.
 Data: < d  &#186;   &#240;   &#186;   > 20 64 19 19 BA 01 00 00 F0 08 19 19 BA 01 00 00 
{277} normal block at 0x000001BA191969C0, 16 bytes long.
 Data: < r  &#186;           > 10 72 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BA19196E20, 16 bytes long.
 Data: <&#232;q  &#186;           > E8 71 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BA19190530, 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 0x000001BA191966A0, 16 bytes long.
 Data: <&#192;q  &#186;           > C0 71 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BA19190230, 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 0x000001BA19196880, 16 bytes long.
 Data: < q  &#186;           > 08 71 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BA191963D0, 16 bytes long.
 Data: <&#224;p  &#186;           > E0 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BA19196970, 16 bytes long.
 Data: <&#184;p  &#186;           > B8 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BA19196790, 16 bytes long.
 Data: < p  &#186;           > 90 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BA19196EC0, 16 bytes long.
 Data: <hp  &#186;           > 68 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BA19196D80, 16 bytes long.
 Data: <@p  &#186;           > 40 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BA19196D30, 16 bytes long.
 Data: <`X  &#186;           > 60 58 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BA19195860, 40 bytes long.
 Data: <0m  &#186;    &#193;  &#186;   > 30 6D 19 19 BA 01 00 00 10 C1 00 1B BA 01 00 00 
{263} normal block at 0x000001BA19196A10, 16 bytes long.
 Data: < p  &#186;           > 20 70 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BA19196C90, 16 bytes long.
 Data: <&#248;o  &#186;           > F8 6F 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BA191902F0, 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 0x000001BA191961A0, 16 bytes long.
 Data: <&#208;o  &#186;           > D0 6F 19 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BA19196FD0, 992 bytes long.
 Data: <&#160;a  &#186;   &#240;   &#186;   > A0 61 19 19 BA 01 00 00 F0 02 19 19 BA 01 00 00 
{95} normal block at 0x000001BA19190410, 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 0x000001BA1918E3E0, 16 bytes long.
 Data: <&#224;&#249;  &#186;           > E0 F9 18 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001BA1918F9E0, 40 bytes long.
 Data: <&#224;&#227;  &#186;       &#186;   > E0 E3 18 19 BA 01 00 00 10 04 19 19 BA 01 00 00 
{72} normal block at 0x000001BA1918E020, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BA1918E890, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BA1918E070, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BA1918DA80, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BA1918E700, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BA1918DB20, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BA1918D9E0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BA1918DEE0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BA1918DAD0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BA1918E8E0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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