Task 38668814

Name test_178-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6894_0
Workunit 31611252
Created 25 Oct 2026, 12:51:39 UTC
Sent 25 Oct 2026, 12:51:43 UTC
Report deadline 30 Oct 2026, 12:51:43 UTC
Received 25 Oct 2026, 13:22:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 20 min 29 sec
CPU time 19 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.14 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:00:24 (13236): wrapper (7.9.26016): starting
14:00:24 (13236): 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
14:00:25 (13236): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:00:25 (13236): 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
14:19:55 (13236): C:/Windows/system32/cmd.exe exited; CPU time 1152.859375
14:19:55 (13236): 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: 18020057 bytes.
Dumping objects ->
{3835498} normal block at 0x0000023558D06780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x0000023558D06710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x0000023558D066A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x0000023558D068D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x0000023558D069B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x000002355A9C4CB0, 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) : {3835410} normal block at 0x0000023558CFD6A0, 8 bytes long.
 Data: <  &#204;X5   > 00 00 CC 58 35 02 00 00 
{3833963} normal block at 0x0000023558CFD420, 8 bytes long.
 Data: < J&#165;Z5   > 00 4A A5 5A 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023558D01A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023558CF65B0, 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 0x0000023558D04E00, 16 bytes long.
 Data: <(c&#208;X5           > 28 63 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023558D04F40, 16 bytes long.
 Data: < c&#208;X5           > 00 63 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023558CFFD60, 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 0x0000023558D053A0, 16 bytes long.
 Data: <&#216;b&#208;X5           > D8 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023558D052B0, 16 bytes long.
 Data: <&#176;b&#208;X5           > B0 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023558D04DB0, 16 bytes long.
 Data: < b&#208;X5           > 88 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023558D04D60, 16 bytes long.
 Data: <`b&#208;X5           > 60 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023558D064E0, 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 0x0000023558D04D10, 16 bytes long.
 Data: <&#232;&#183;&#206;X5           > E8 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023558CFF3A0, 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 0x0000023558D04CC0, 16 bytes long.
 Data: <&#192;&#183;&#206;X5           > C0 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023558D04EA0, 16 bytes long.
 Data: < &#183;&#206;X5           > 98 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023558D05080, 16 bytes long.
 Data: <p&#183;&#206;X5           > 70 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023558D04C70, 16 bytes long.
 Data: <H&#183;&#206;X5           > 48 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023558D04C20, 16 bytes long.
 Data: < &#183;&#206;X5           > 20 B7 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023558D05940, 16 bytes long.
 Data: <&#248;&#182;&#206;X5           > F8 B6 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023558CFF040, 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 0x0000023558D056C0, 16 bytes long.
 Data: <&#208;&#182;&#206;X5           > D0 B6 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023558CEB6D0, 320 bytes long.
 Data: <&#192;V&#208;X5   @&#240;&#207;X5   > C0 56 D0 58 35 02 00 00 40 F0 CF 58 35 02 00 00 
{277} normal block at 0x0000023558D04AE0, 16 bytes long.
 Data: <@b&#208;X5           > 40 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023558D05030, 16 bytes long.
 Data: < b&#208;X5           > 18 62 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023558CFF340, 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 0x0000023558D05990, 16 bytes long.
 Data: <&#240;a&#208;X5           > F0 61 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023558CFFBE0, 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 0x0000023558D054E0, 16 bytes long.
 Data: <8a&#208;X5           > 38 61 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023558D053F0, 16 bytes long.
 Data: < a&#208;X5           > 10 61 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023558D05490, 16 bytes long.
 Data: <&#232;`&#208;X5           > E8 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023558D05210, 16 bytes long.
 Data: <&#192;`&#208;X5           > C0 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023558D058F0, 16 bytes long.
 Data: < `&#208;X5           > 98 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023558D051C0, 16 bytes long.
 Data: <p`&#208;X5           > 70 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023558D055D0, 16 bytes long.
 Data: <&#192;&#201;&#206;X5           > C0 C9 CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023558CEC9C0, 40 bytes long.
 Data: <&#208;U&#208;X5   &#176;L&#156;Z5   > D0 55 D0 58 35 02 00 00 B0 4C 9C 5A 35 02 00 00 
{263} normal block at 0x0000023558D04A90, 16 bytes long.
 Data: <P`&#208;X5           > 50 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023558D05850, 16 bytes long.
 Data: <(`&#208;X5           > 28 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023558CFFD00, 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 0x0000023558D04F90, 16 bytes long.
 Data: < `&#208;X5           > 00 60 D0 58 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023558D06000, 992 bytes long.
 Data: < O&#208;X5    &#253;&#207;X5   > 90 4F D0 58 35 02 00 00 00 FD CF 58 35 02 00 00 
{95} normal block at 0x0000023558CFFDC0, 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 0x0000023558CFDB50, 16 bytes long.
 Data: <&#224;&#218;&#206;X5           > E0 DA CE 58 35 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023558CEDAE0, 40 bytes long.
 Data: <P&#219;&#207;X5   &#192;&#253;&#207;X5   > 50 DB CF 58 35 02 00 00 C0 FD CF 58 35 02 00 00 
{72} normal block at 0x0000023558CFDFB0, 16 bytes long.
 Data: < &#234;r&#176;&#247;           > 80 EA 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023558CFD830, 16 bytes long.
 Data: <@&#233;r&#176;&#247;           > 40 E9 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023558CFE190, 16 bytes long.
 Data: <&#248;Wo&#176;&#247;           > F8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023558CFDE20, 16 bytes long.
 Data: <&#216;Wo&#176;&#247;           > D8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023558CFD5B0, 16 bytes long.
 Data: <P o&#176;&#247;           > 50 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023558CFE230, 16 bytes long.
 Data: <0 o&#176;&#247;           > 30 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023558CFD790, 16 bytes long.
 Data: <&#224; o&#176;&#247;           > E0 02 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023558CFDDD0, 16 bytes long.
 Data: <  o&#176;&#247;           > 10 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023558CFE1E0, 16 bytes long.
 Data: <p o&#176;&#247;           > 70 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023558CFD3D0, 16 bytes long.
 Data: < &#192;m&#176;&#247;           > 18 C0 6D B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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