Task 38688989

Name test_459-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4761_0
Workunit 31630275
Created 28 Oct 2026, 17:27:45 UTC
Sent 28 Oct 2026, 17:27:50 UTC
Report deadline 2 Nov 2026, 17:27:50 UTC
Received 28 Oct 2026, 19:02:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 22 min 12 sec
CPU time 15 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.18 MB
Peak swap size 11.53 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:43:30 (42500): wrapper (7.9.26016): starting
14:43:30 (42500): 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
14:43:31 (42500): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:43:31 (42500): 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\13\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\13\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
15:00:40 (42500): C:/Windows/system32/cmd.exe exited; CPU time 953.031250
15:00:40 (42500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20546413 bytes.
Dumping objects ->
{3835525} normal block at 0x00000229A66031F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000229A6603260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000229A6603180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000229A6602E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000229A6602D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x00000229A8408DA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x00000229A66690A0, 140 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) : {3835436} normal block at 0x00000229A65FE4F0, 8 bytes long.
 Data: <  Z&#166;)   > 00 00 5A A6 29 02 00 00 
{3834686} normal block at 0x00000229A6668FD0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000229A65FDFA0, 8 bytes long.
 Data: < &#234;1&#168;)   > 00 EA 31 A8 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000229A65F6A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229A65F7840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000229A6603640, 16 bytes long.
 Data: < L`&#166;)           > 88 4C 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000229A6603F50, 16 bytes long.
 Data: <`L`&#166;)           > 60 4C 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229A65FF230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000229A6603F00, 16 bytes long.
 Data: <8L`&#166;)           > 38 4C 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229A6603EB0, 16 bytes long.
 Data: < L`&#166;)           > 10 4C 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229A66037D0, 16 bytes long.
 Data: <&#232;K`&#166;)           > E8 4B 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229A6604220, 16 bytes long.
 Data: <&#192;K`&#166;)           > C0 4B 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229A66032D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000229A6603A00, 16 bytes long.
 Data: <(&#166;_&#166;)           > 28 A6 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229A65FFD70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000229A66041D0, 16 bytes long.
 Data: < &#166;_&#166;)           > 00 A6 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229A6603E60, 16 bytes long.
 Data: <&#216;&#165;_&#166;)           > D8 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229A6603E10, 16 bytes long.
 Data: <&#176;&#165;_&#166;)           > B0 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229A66040E0, 16 bytes long.
 Data: < &#165;_&#166;)           > 88 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229A6604090, 16 bytes long.
 Data: <`&#165;_&#166;)           > 60 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229A6603DC0, 16 bytes long.
 Data: <8&#165;_&#166;)           > 38 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229A65FF350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000229A6603D70, 16 bytes long.
 Data: < &#165;_&#166;)           > 10 A5 5F A6 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229A65FA510, 320 bytes long.
 Data: <p=`&#166;)   P&#243;_&#166;)   > 70 3D 60 A6 29 02 00 00 50 F3 5F A6 29 02 00 00 
{274} normal block at 0x00000229A6604450, 16 bytes long.
 Data: <&#160;K`&#166;)           > A0 4B 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229A6603910, 16 bytes long.
 Data: <xK`&#166;)           > 78 4B 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229A65FFB90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000229A6604180, 16 bytes long.
 Data: <PK`&#166;)           > 50 4B 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229A65FF8F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000229A66038C0, 16 bytes long.
 Data: < J`&#166;)           > 98 4A 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229A6604040, 16 bytes long.
 Data: <pJ`&#166;)           > 70 4A 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229A6603C80, 16 bytes long.
 Data: <HJ`&#166;)           > 48 4A 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229A6603FA0, 16 bytes long.
 Data: < J`&#166;)           > 20 4A 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229A66035A0, 16 bytes long.
 Data: <&#248;I`&#166;)           > F8 49 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229A66039B0, 16 bytes long.
 Data: <&#208;I`&#166;)           > D0 49 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229A6604130, 16 bytes long.
 Data: <@3`&#166;)           > 40 33 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229A6603340, 40 bytes long.
 Data: <0A`&#166;)   &#160; @&#168;)   > 30 41 60 A6 29 02 00 00 A0 8D 40 A8 29 02 00 00 
{260} normal block at 0x00000229A6603D20, 16 bytes long.
 Data: <&#176;I`&#166;)           > B0 49 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229A66044F0, 16 bytes long.
 Data: < I`&#166;)           > 88 49 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229A65FF170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000229A6603AA0, 16 bytes long.
 Data: <`I`&#166;)           > 60 49 60 A6 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000229A6604960, 992 bytes long.
 Data: <&#160;:`&#166;)   p&#241;_&#166;)   > A0 3A 60 A6 29 02 00 00 70 F1 5F A6 29 02 00 00 
{92} normal block at 0x00000229A65FF530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000229A65FE2C0, 16 bytes long.
 Data: < &#253;^&#166;)           > 80 FD 5E A6 29 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000229A65EFD80, 40 bytes long.
 Data: <&#192;&#226;_&#166;)   0&#245;_&#166;)   > C0 E2 5F A6 29 02 00 00 30 F5 5F A6 29 02 00 00 
{69} normal block at 0x00000229A65FEB80, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000229A65FE180, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229A65FDEB0, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229A65FED60, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229A65FE4A0, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000229A65FEC20, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229A65FE860, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229A65FEB30, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229A65FE630, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229A65FE8B0, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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