Task 38675721

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9048_0
Workunit 31617678
Created 26 Oct 2026, 9:07:47 UTC
Sent 26 Oct 2026, 9:07:50 UTC
Report deadline 31 Oct 2026, 9:07:50 UTC
Received 26 Oct 2026, 10:32:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 633950
Run time 25 min 4 sec
CPU time 17 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.24 MB
Peak swap size 11.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:08:28 (16224): wrapper (7.9.26016): starting
11:08:28 (16224): 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
11:08:30 (16224): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:08:30 (16224): 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\3\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\3\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
11:32:04 (16224): C:/Windows/system32/cmd.exe exited; CPU time 1026.156250
11:32:04 (16224): 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: 26050211 bytes.
Dumping objects ->
{3835462} normal block at 0x000001A5DACA5A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x000001A5D8F45E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001A5D8F462E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835429} normal block at 0x000001A5D8F45DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835418} normal block at 0x000001A5D8F46200, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835387} normal block at 0x000001A5DAC4BA10, 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) : {3835374} normal block at 0x000001A5D8F40550, 8 bytes long.
 Data: <  &#240;&#216;&#165;   > 00 00 F0 D8 A5 01 00 00 
{3833961} normal block at 0x000001A5D8F405F0, 8 bytes long.
 Data: <&#160;B&#202;&#218;&#165;   > A0 42 CA DA A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A5D8F41FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A5D8F373D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001A5D8F46CC0, 16 bytes long.
 Data: <(x&#244;&#216;&#165;           > 28 78 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A5D8F46810, 16 bytes long.
 Data: < x&#244;&#216;&#165;           > 00 78 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A5D8F40980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001A5D8F46EF0, 16 bytes long.
 Data: <&#216;w&#244;&#216;&#165;           > D8 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A5D8F46DB0, 16 bytes long.
 Data: <&#176;w&#244;&#216;&#165;           > B0 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A5D8F47260, 16 bytes long.
 Data: < w&#244;&#216;&#165;           > 88 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A5D8F46F90, 16 bytes long.
 Data: <`w&#244;&#216;&#165;           > 60 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A5D8F45E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001A5D8F467C0, 16 bytes long.
 Data: < &#160;&#243;&#216;&#165;           > 98 A0 F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A5D8F410A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001A5D8F46F40, 16 bytes long.
 Data: <p&#160;&#243;&#216;&#165;           > 70 A0 F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A5D8F46A40, 16 bytes long.
 Data: <H&#160;&#243;&#216;&#165;           > 48 A0 F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A5D8F46720, 16 bytes long.
 Data: < &#160;&#243;&#216;&#165;           > 20 A0 F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A5D8F465E0, 16 bytes long.
 Data: <&#248;&#159;&#243;&#216;&#165;           > F8 9F F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A5D8F46D10, 16 bytes long.
 Data: <&#208;&#159;&#243;&#216;&#165;           > D0 9F F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A5D8F46E00, 16 bytes long.
 Data: <&#168;&#159;&#243;&#216;&#165;           > A8 9F F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A5D8F417C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001A5D8F466D0, 16 bytes long.
 Data: < &#159;&#243;&#216;&#165;           > 80 9F F3 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A5D8F39F80, 320 bytes long.
 Data: <&#208;f&#244;&#216;&#165;   &#192; &#244;&#216;&#165;   > D0 66 F4 D8 A5 01 00 00 C0 17 F4 D8 A5 01 00 00 
{276} normal block at 0x000001A5D8F47170, 16 bytes long.
 Data: <@w&#244;&#216;&#165;           > 40 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A5D8F46B30, 16 bytes long.
 Data: < w&#244;&#216;&#165;           > 18 77 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A5D8F416A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001A5D8F46A90, 16 bytes long.
 Data: <&#240;v&#244;&#216;&#165;           > F0 76 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A5D8F41700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001A5D8F47030, 16 bytes long.
 Data: <8v&#244;&#216;&#165;           > 38 76 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A5D8F46EA0, 16 bytes long.
 Data: < v&#244;&#216;&#165;           > 10 76 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A5D8F46860, 16 bytes long.
 Data: <&#232;u&#244;&#216;&#165;           > E8 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A5D8F47210, 16 bytes long.
 Data: <&#192;u&#244;&#216;&#165;           > C0 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A5D8F46FE0, 16 bytes long.
 Data: < u&#244;&#216;&#165;           > 98 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A5D8F46630, 16 bytes long.
 Data: <pu&#244;&#216;&#165;           > 70 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A5D8F46680, 16 bytes long.
 Data: <Pc&#244;&#216;&#165;           > 50 63 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A5D8F46350, 40 bytes long.
 Data: < f&#244;&#216;&#165;    &#186;&#196;&#218;&#165;   > 80 66 F4 D8 A5 01 00 00 10 BA C4 DA A5 01 00 00 
{262} normal block at 0x000001A5D8F46BD0, 16 bytes long.
 Data: <Pu&#244;&#216;&#165;           > 50 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A5D8F473A0, 16 bytes long.
 Data: <(u&#244;&#216;&#165;           > 28 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A5D8F413A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001A5D8F46AE0, 16 bytes long.
 Data: < u&#244;&#216;&#165;           > 00 75 F4 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A5D8F47500, 992 bytes long.
 Data: <&#224;j&#244;&#216;&#165;   &#160; &#244;&#216;&#165;   > E0 6A F4 D8 A5 01 00 00 A0 13 F4 D8 A5 01 00 00 
{94} normal block at 0x000001A5D8F41760, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001A5D8F3FD30, 16 bytes long.
 Data: <P&#195;&#242;&#216;&#165;           > 50 C3 F2 D8 A5 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A5D8F2C350, 40 bytes long.
 Data: <0&#253;&#243;&#216;&#165;   ` &#244;&#216;&#165;   > 30 FD F3 D8 A5 01 00 00 60 17 F4 D8 A5 01 00 00 
{71} normal block at 0x000001A5D8F405A0, 16 bytes long.
 Data: < &#234;&#204;t&#246;           > 80 EA CC 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A5D8F40500, 16 bytes long.
 Data: <@&#233;&#204;t&#246;           > 40 E9 CC 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A5D8F3FC90, 16 bytes long.
 Data: <&#248;W&#201;t&#246;           > F8 57 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A5D8F3FAB0, 16 bytes long.
 Data: <&#216;W&#201;t&#246;           > D8 57 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A5D8F400A0, 16 bytes long.
 Data: <P &#201;t&#246;           > 50 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A5D8F404B0, 16 bytes long.
 Data: <0 &#201;t&#246;           > 30 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A5D8F40730, 16 bytes long.
 Data: <&#224; &#201;t&#246;           > E0 02 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A5D8F3FEC0, 16 bytes long.
 Data: <  &#201;t&#246;           > 10 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A5D8F3FB50, 16 bytes long.
 Data: <p &#201;t&#246;           > 70 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A5D8F3FA10, 16 bytes long.
 Data: < &#192;&#199;t&#246;           > 18 C0 C7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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