Task 38677420

Name test_752-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7683_0
Workunit 31619292
Created 26 Oct 2026, 14:18:58 UTC
Sent 26 Oct 2026, 14:18:59 UTC
Report deadline 31 Oct 2026, 14:18:59 UTC
Received 26 Oct 2026, 16:29:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 3 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.95 MB
Peak swap size 1.67 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:56 (10600): wrapper (7.9.26016): starting
18:02:56 (10600): 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
18:02:57 (10600): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:57 (10600): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
18:27:06 (10600): C:/Windows/system32/cmd.exe exited; CPU time 1200.421875
18:27:06 (10600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17818603 bytes.
Dumping objects ->
{3835468} normal block at 0x000002897A0375E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002897A0369A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000002897A037570, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x00000289783AAD30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x00000289783AACC0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x0000028979F4AD40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x0000028979EB0D40, 160 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) : {3835379} normal block at 0x00000289783A60C0, 8 bytes long.
 Data: <  4x&#137;   > 00 00 34 78 89 02 00 00 
{3834658} normal block at 0x0000028979EB0F00, 160 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 0x00000289783A6070, 8 bytes long.
 Data: <&#160;T z&#137;   > A0 54 06 7A 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000289783AF840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000289783ABBB0, 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 0x00000289783B0CE0, 16 bytes long.
 Data: < .;x&#137;           > 88 2E 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000289783B0A60, 16 bytes long.
 Data: <`.;x&#137;           > 60 2E 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000289783AC2B0, 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 0x00000289783B1460, 16 bytes long.
 Data: <8.;x&#137;           > 38 2E 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000289783B1410, 16 bytes long.
 Data: < .;x&#137;           > 10 2E 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000289783B0BA0, 16 bytes long.
 Data: <&#232;-;x&#137;           > E8 2D 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000289783B07E0, 16 bytes long.
 Data: <&#192;-;x&#137;           > C0 2D 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000289783AAFD0, 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 0x00000289783B0C90, 16 bytes long.
 Data: <(&#170;9x&#137;           > 28 AA 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000289783AC010, 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 0x00000289783B0970, 16 bytes long.
 Data: < &#170;9x&#137;           > 00 AA 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000289783B0E70, 16 bytes long.
 Data: <&#216;&#169;9x&#137;           > D8 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000289783B13C0, 16 bytes long.
 Data: <&#176;&#169;9x&#137;           > B0 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000289783B16E0, 16 bytes long.
 Data: < &#169;9x&#137;           > 88 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000289783B0D80, 16 bytes long.
 Data: <`&#169;9x&#137;           > 60 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000289783B12D0, 16 bytes long.
 Data: <8&#169;9x&#137;           > 38 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000289783ABFB0, 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 0x00000289783B0790, 16 bytes long.
 Data: < &#169;9x&#137;           > 10 A9 39 78 89 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002897839A910, 320 bytes long.
 Data: <  ;x&#137;   &#176;&#191;:x&#137;   > 90 07 3B 78 89 02 00 00 B0 BF 3A 78 89 02 00 00 
{269} normal block at 0x00000289783B1280, 16 bytes long.
 Data: <&#160;-;x&#137;           > A0 2D 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000289783B0FB0, 16 bytes long.
 Data: <x-;x&#137;           > 78 2D 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000289783ACA30, 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 0x00000289783B1550, 16 bytes long.
 Data: <P-;x&#137;           > 50 2D 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000289783ABDD0, 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 0x00000289783B1640, 16 bytes long.
 Data: < ,;x&#137;           > 98 2C 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000289783B1690, 16 bytes long.
 Data: <p,;x&#137;           > 70 2C 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000289783B1140, 16 bytes long.
 Data: <H,;x&#137;           > 48 2C 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000289783B1500, 16 bytes long.
 Data: < ,;x&#137;           > 20 2C 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000289783B0A10, 16 bytes long.
 Data: <&#248;+;x&#137;           > F8 2B 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000289783B0E20, 16 bytes long.
 Data: <&#208;+;x&#137;           > D0 2B 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000289783B10F0, 16 bytes long.
 Data: <&#224;&#171;:x&#137;           > E0 AB 3A 78 89 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000289783AABE0, 40 bytes long.
 Data: <&#240; ;x&#137;   @&#173;&#244;y&#137;   > F0 10 3B 78 89 02 00 00 40 AD F4 79 89 02 00 00 
{255} normal block at 0x00000289783B14B0, 16 bytes long.
 Data: <&#176;+;x&#137;           > B0 2B 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000289783B0920, 16 bytes long.
 Data: < +;x&#137;           > 88 2B 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000289783AC0D0, 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 0x00000289783B10A0, 16 bytes long.
 Data: <`+;x&#137;           > 60 2B 3B 78 89 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000289783B2B60, 992 bytes long.
 Data: <&#160; ;x&#137;   &#208;&#192;:x&#137;   > A0 10 3B 78 89 02 00 00 D0 C0 3A 78 89 02 00 00 
{87} normal block at 0x00000289783AC970, 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 0x00000289783A5F80, 16 bytes long.
 Data: < &#170;:x&#137;           > 90 AA 3A 78 89 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000289783AAA90, 40 bytes long.
 Data: < _:x&#137;   p&#201;:x&#137;   > 80 5F 3A 78 89 02 00 00 70 C9 3A 78 89 02 00 00 
{64} normal block at 0x00000289783A5EE0, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000289783A62F0, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000289783A6700, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000289783A6C50, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000289783A5DA0, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000289783A5FD0, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000289783A62A0, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000289783A6980, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000289783A66B0, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000289783A6930, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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