Task 38686401

Name test_534-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9413_0
Workunit 31627834
Created 28 Oct 2026, 2:18:03 UTC
Sent 28 Oct 2026, 2:18:06 UTC
Report deadline 2 Nov 2026, 2:18:06 UTC
Received 28 Oct 2026, 3:11:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 40 sec
CPU time 51 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.26 MB
Peak swap size 14.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:20:23 (20808): wrapper (7.9.26016): starting
03:20:23 (20808): 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
03:20:25 (20808): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:20:25 (20808): 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\71\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\71\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
04:10:59 (20808): C:/Windows/system32/cmd.exe exited; CPU time 3069.203125
04:10:59 (20808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 54264741 bytes.
Dumping objects ->
{3835218} normal block at 0x0000024BDBF873C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000024BDBF87350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000024BDBF872E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x0000024BDBF86D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000024BDBF86DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x0000024BDBF2AF90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000024BDBF8D9C0, 102 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) : {3835129} normal block at 0x0000024BDA196D10, 8 bytes long.
 Data: <   &#218;K   > 00 00 11 DA 4B 02 00 00 
{3834528} normal block at 0x0000024BDBF8D2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000024BDA196450, 8 bytes long.
 Data: <0&#239;&#238;&#219;K   > 30 EF EE DB 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000024BDA1A14C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024BDA185C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000024BDA1A2AA0, 16 bytes long.
 Data: <&#184;5 &#218;K           > B8 35 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024BDA1A2500, 16 bytes long.
 Data: < 5 &#218;K           > 90 35 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024BDA19D2B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000024BDA1A2410, 16 bytes long.
 Data: <h5 &#218;K           > 68 35 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024BDA1A2320, 16 bytes long.
 Data: <@5 &#218;K           > 40 35 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BDA1A2370, 16 bytes long.
 Data: < 5 &#218;K           > 18 35 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024BDA1A2E60, 16 bytes long.
 Data: <&#240;4 &#218;K           > F0 34 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024BDA19B500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000024BDA1A2640, 16 bytes long.
 Data: <&#232;[ &#218;K           > E8 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BDA19D130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000024BDA1A3180, 16 bytes long.
 Data: <&#192;[ &#218;K           > C0 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024BDA1A2870, 16 bytes long.
 Data: < [ &#218;K           > 98 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024BDA1A3090, 16 bytes long.
 Data: <p[ &#218;K           > 70 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024BDA1A25F0, 16 bytes long.
 Data: <H[ &#218;K           > 48 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024BDA1A2AF0, 16 bytes long.
 Data: < [ &#218;K           > 20 5B 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024BDA1A2FA0, 16 bytes long.
 Data: <&#248;Z &#218;K           > F8 5A 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024BDA19D070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000024BDA1A2F00, 16 bytes long.
 Data: <&#208;Z &#218;K           > D0 5A 18 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024BDA185AD0, 320 bytes long.
 Data: < / &#218;K   p&#208; &#218;K   > 00 2F 1A DA 4B 02 00 00 70 D0 19 DA 4B 02 00 00 
{269} normal block at 0x0000024BDA1A24B0, 16 bytes long.
 Data: <&#208;4 &#218;K           > D0 34 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024BDA1A2CD0, 16 bytes long.
 Data: <&#168;4 &#218;K           > A8 34 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BDA19D010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000024BDA1A3040, 16 bytes long.
 Data: < 4 &#218;K           > 80 34 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024BDA19C650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000024BDA1A27D0, 16 bytes long.
 Data: <&#200;3 &#218;K           > C8 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024BDA1A3220, 16 bytes long.
 Data: <&#160;3 &#218;K           > A0 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024BDA1A2E10, 16 bytes long.
 Data: <x3 &#218;K           > 78 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BDA1A2C30, 16 bytes long.
 Data: <P3 &#218;K           > 50 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024BDA1A22D0, 16 bytes long.
 Data: <(3 &#218;K           > 28 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024BDA1A31D0, 16 bytes long.
 Data: < 3 &#218;K           > 00 33 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024BDA1A2A00, 16 bytes long.
 Data: < &#180; &#218;K           > 90 B4 19 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024BDA19B490, 40 bytes long.
 Data: < * &#218;K    &#175;&#242;&#219;K   > 00 2A 1A DA 4B 02 00 00 90 AF F2 DB 4B 02 00 00 
{255} normal block at 0x0000024BDA1A2DC0, 16 bytes long.
 Data: <&#224;2 &#218;K           > E0 32 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024BDA1A23C0, 16 bytes long.
 Data: <&#184;2 &#218;K           > B8 32 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024BDA19C7D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000024BDA1A2960, 16 bytes long.
 Data: < 2 &#218;K           > 90 32 1A DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000024BDA1A3290, 992 bytes long.
 Data: <`) &#218;K   &#208;&#199; &#218;K   > 60 29 1A DA 4B 02 00 00 D0 C7 19 DA 4B 02 00 00 
{87} normal block at 0x0000024BDA19CA70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000024BDA1966D0, 16 bytes long.
 Data: <p&#181; &#218;K           > 70 B5 19 DA 4B 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000024BDA19B570, 40 bytes long.
 Data: <&#208;f &#218;K   p&#202; &#218;K   > D0 66 19 DA 4B 02 00 00 70 CA 19 DA 4B 02 00 00 
{64} normal block at 0x0000024BDA196590, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BDA196680, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024BDA196810, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024BDA196540, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024BDA196630, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024BDA1967C0, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024BDA196C20, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024BDA197120, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024BDA196950, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024BDA196360, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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