Task 38654483

Name test_59-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8584_0
Workunit 31598301
Created 24 Oct 2026, 7:22:43 UTC
Sent 24 Oct 2026, 7:23:06 UTC
Report deadline 29 Oct 2026, 7:23:06 UTC
Received 24 Oct 2026, 8:08:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 18 min 55 sec
CPU time 18 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.81 MB
Peak swap size 5.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:42:25 (33592): wrapper (7.9.26016): starting
09:42:25 (33592): 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
09:42:26 (33592): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:42:26 (33592): 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
10:02:31 (33592): C:/Windows/system32/cmd.exe exited; CPU time 1135.500000
10:02:31 (33592): 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: 26613765 bytes.
Dumping objects ->
{3835256} normal block at 0x000001485CE5C650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001485B134920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001485B1347D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001485B134760, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001485B134610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001485CEAAEC0, 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) : {3835168} normal block at 0x000001485B1301B0, 8 bytes long.
 Data: <  &#193;\H   > 00 00 C1 5C 48 01 00 00 
{3833957} normal block at 0x000001485B1302A0, 8 bytes long.
 Data: <&#160;7&#243;\H   > A0 37 F3 5C 48 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001485B125E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001485B127370, 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 0x000001485B135D90, 16 bytes long.
 Data: < d [H           > 18 64 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001485B135CF0, 16 bytes long.
 Data: <&#240;c [H           > F0 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001485B1304B0, 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 0x000001485B135840, 16 bytes long.
 Data: <&#200;c [H           > C8 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001485B135CA0, 16 bytes long.
 Data: <&#160;c [H           > A0 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001485B135700, 16 bytes long.
 Data: <xc [H           > 78 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001485B135750, 16 bytes long.
 Data: <Pc [H           > 50 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001485B134450, 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 0x000001485B135BB0, 16 bytes long.
 Data: < &#158; [H           > 08 9E 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001485B130450, 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 0x000001485B1350C0, 16 bytes long.
 Data: <&#224;  [H           > E0 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001485B1357A0, 16 bytes long.
 Data: <&#184;  [H           > B8 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001485B135B60, 16 bytes long.
 Data: <   [H           > 90 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001485B135980, 16 bytes long.
 Data: <h  [H           > 68 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001485B135020, 16 bytes long.
 Data: <@  [H           > 40 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001485B135B10, 16 bytes long.
 Data: <   [H           > 18 9D 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001485B1309F0, 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 0x000001485B135D40, 16 bytes long.
 Data: <&#240;&#156; [H           > F0 9C 12 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001485B129CF0, 320 bytes long.
 Data: <@] [H   &#240;	 [H   > 40 5D 13 5B 48 01 00 00 F0 09 13 5B 48 01 00 00 
{274} normal block at 0x000001485B135C50, 16 bytes long.
 Data: <0c [H           > 30 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001485B135930, 16 bytes long.
 Data: < c [H           > 08 63 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001485B130870, 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 0x000001485B135160, 16 bytes long.
 Data: <&#224;b [H           > E0 62 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001485B130B10, 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 0x000001485B1356B0, 16 bytes long.
 Data: <(b [H           > 28 62 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001485B135250, 16 bytes long.
 Data: < b [H           > 00 62 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001485B135C00, 16 bytes long.
 Data: <&#216;a [H           > D8 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001485B134FD0, 16 bytes long.
 Data: <&#176;a [H           > B0 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001485B135610, 16 bytes long.
 Data: < a [H           > 88 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001485B1358E0, 16 bytes long.
 Data: <`a [H           > 60 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001485B135110, 16 bytes long.
 Data: <@H [H           > 40 48 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001485B134840, 40 bytes long.
 Data: < Q [H   &#192;&#174;&#234;\H   > 10 51 13 5B 48 01 00 00 C0 AE EA 5C 48 01 00 00 
{260} normal block at 0x000001485B1354D0, 16 bytes long.
 Data: <@a [H           > 40 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001485B135AC0, 16 bytes long.
 Data: < a [H           > 18 61 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001485B130BD0, 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 0x000001485B135A70, 16 bytes long.
 Data: <&#240;` [H           > F0 60 13 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001485B1360F0, 992 bytes long.
 Data: <pZ [H   &#208;  [H   > 70 5A 13 5B 48 01 00 00 D0 0B 13 5B 48 01 00 00 
{92} normal block at 0x000001485B130990, 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 0x000001485B130020, 16 bytes long.
 Data: <&#192;&#238; [H           > C0 EE 11 5B 48 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001485B11EEC0, 40 bytes long.
 Data: <   [H    	 [H   > 20 00 13 5B 48 01 00 00 90 09 13 5B 48 01 00 00 
{69} normal block at 0x000001485B12F6C0, 16 bytes long.
 Data: < &#234;0&#185;&#247;           > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001485B12F850, 16 bytes long.
 Data: <@&#233;0&#185;&#247;           > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001485B130340, 16 bytes long.
 Data: <&#248;W-&#185;&#247;           > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001485B12FE90, 16 bytes long.
 Data: <&#216;W-&#185;&#247;           > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001485B12FEE0, 16 bytes long.
 Data: <P -&#185;&#247;           > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001485B12FFD0, 16 bytes long.
 Data: <0 -&#185;&#247;           > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001485B12F800, 16 bytes long.
 Data: <&#224; -&#185;&#247;           > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001485B12F670, 16 bytes long.
 Data: <  -&#185;&#247;           > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001485B1302F0, 16 bytes long.
 Data: <p -&#185;&#247;           > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001485B12FD00, 16 bytes long.
 Data: < &#192;+&#185;&#247;           > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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