Task 38688666

Name test_206-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0044_0
Workunit 31629993
Created 28 Oct 2026, 15:28:48 UTC
Sent 28 Oct 2026, 15:28:53 UTC
Report deadline 2 Nov 2026, 15:28:53 UTC
Received 28 Oct 2026, 15:59:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 25 min 23 sec
CPU time 24 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.21 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:34:38 (31476): wrapper (7.9.26016): starting
10:34:38 (31476): 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
10:34:39 (31476): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:34:39 (31476): 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
10:59:11 (31476): C:/Windows/system32/cmd.exe exited; CPU time 1441.218750
10:59:11 (31476): 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: 36592635 bytes.
Dumping objects ->
{3835258} normal block at 0x000002D7A639D560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002D7A4684920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002D7A4684C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000002D7A46848B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002D7A4684DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000002D7A63E86A0, 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) : {3835170} normal block at 0x000002D7A467E820, 8 bytes long.
 Data: <  c&#164;&#215;   > 00 00 63 A4 D7 02 00 00 
{3833959} normal block at 0x000002D7A467EBE0, 8 bytes long.
 Data: <`&#227;/&#166;&#215;   > 60 E3 2F A6 D7 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002D7A4680AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002D7A4676920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002D7A4686430, 16 bytes long.
 Data: <&#248;Wh&#164;&#215;           > F8 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D7A4686070, 16 bytes long.
 Data: <&#208;Wh&#164;&#215;           > D0 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D7A4680130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002D7A4685A30, 16 bytes long.
 Data: <&#168;Wh&#164;&#215;           > A8 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D7A4686520, 16 bytes long.
 Data: < Wh&#164;&#215;           > 80 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D7A4686660, 16 bytes long.
 Data: <XWh&#164;&#215;           > 58 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D7A4686110, 16 bytes long.
 Data: <0Wh&#164;&#215;           > 30 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D7A4684760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002D7A4685C60, 16 bytes long.
 Data: <&#232; g&#164;&#215;           > E8 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D7A46802B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002D7A4685EE0, 16 bytes long.
 Data: <&#192; g&#164;&#215;           > C0 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D7A46859E0, 16 bytes long.
 Data: <  g&#164;&#215;           > 98 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D7A4685DA0, 16 bytes long.
 Data: <p g&#164;&#215;           > 70 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D7A4685D00, 16 bytes long.
 Data: <H g&#164;&#215;           > 48 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D7A4686390, 16 bytes long.
 Data: <  g&#164;&#215;           > 20 90 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D7A4685B70, 16 bytes long.
 Data: <&#248; g&#164;&#215;           > F8 8F 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D7A4680250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002D7A4685BC0, 16 bytes long.
 Data: <&#208; g&#164;&#215;           > D0 8F 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D7A4678FD0, 320 bytes long.
 Data: <&#192;[h&#164;&#215;   P h&#164;&#215;   > C0 5B 68 A4 D7 02 00 00 50 02 68 A4 D7 02 00 00 
{275} normal block at 0x000002D7A4685C10, 16 bytes long.
 Data: < Wh&#164;&#215;           > 10 57 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D7A4685E40, 16 bytes long.
 Data: <&#232;Vh&#164;&#215;           > E8 56 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D7A467F950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002D7A4686840, 16 bytes long.
 Data: <&#192;Vh&#164;&#215;           > C0 56 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D7A467FB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002D7A4685990, 16 bytes long.
 Data: < Vh&#164;&#215;           > 08 56 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D7A4685CB0, 16 bytes long.
 Data: <&#224;Uh&#164;&#215;           > E0 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D7A4686020, 16 bytes long.
 Data: <&#184;Uh&#164;&#215;           > B8 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D7A46861B0, 16 bytes long.
 Data: < Uh&#164;&#215;           > 90 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D7A46860C0, 16 bytes long.
 Data: <hUh&#164;&#215;           > 68 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D7A467E960, 16 bytes long.
 Data: <@Uh&#164;&#215;           > 40 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D7A467EB90, 16 bytes long.
 Data: <`Nh&#164;&#215;           > 60 4E 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D7A4684E60, 40 bytes long.
 Data: < &#235;g&#164;&#215;   &#160;&#134;>&#166;&#215;   > 90 EB 67 A4 D7 02 00 00 A0 86 3E A6 D7 02 00 00 
{261} normal block at 0x000002D7A467E910, 16 bytes long.
 Data: < Uh&#164;&#215;           > 20 55 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D7A467E8C0, 16 bytes long.
 Data: <&#248;Th&#164;&#215;           > F8 54 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D7A46806D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002D7A467F450, 16 bytes long.
 Data: <&#208;Th&#164;&#215;           > D0 54 68 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D7A46854D0, 992 bytes long.
 Data: <P&#244;g&#164;&#215;   &#208; h&#164;&#215;   > 50 F4 67 A4 D7 02 00 00 D0 06 68 A4 D7 02 00 00 
{93} normal block at 0x000002D7A4680310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002D7A467F220, 16 bytes long.
 Data: < &#231;g&#164;&#215;           > 20 E7 67 A4 D7 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002D7A467E720, 40 bytes long.
 Data: < &#242;g&#164;&#215;     h&#164;&#215;   > 20 F2 67 A4 D7 02 00 00 10 03 68 A4 D7 02 00 00 
{70} normal block at 0x000002D7A467F4F0, 16 bytes long.
 Data: < &#234;&#213;&#162;&#246;           > 80 EA D5 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D7A467F090, 16 bytes long.
 Data: <@&#233;&#213;&#162;&#246;           > 40 E9 D5 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D7A467EFF0, 16 bytes long.
 Data: <&#248;W&#210;&#162;&#246;           > F8 57 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D7A467F040, 16 bytes long.
 Data: <&#216;W&#210;&#162;&#246;           > D8 57 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D7A467ECD0, 16 bytes long.
 Data: <P &#210;&#162;&#246;           > 50 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D7A467EC80, 16 bytes long.
 Data: <0 &#210;&#162;&#246;           > 30 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D7A467EF00, 16 bytes long.
 Data: <&#224; &#210;&#162;&#246;           > E0 02 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D7A467EDC0, 16 bytes long.
 Data: <  &#210;&#162;&#246;           > 10 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D7A467EFA0, 16 bytes long.
 Data: <p &#210;&#162;&#246;           > 70 04 D2 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D7A467EE60, 16 bytes long.
 Data: < &#192;&#208;&#162;&#246;           > 18 C0 D0 A2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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