Task 38682637

Name test_582-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2462_0
Workunit 31624238
Created 27 Oct 2026, 8:30:17 UTC
Sent 27 Oct 2026, 8:30:24 UTC
Report deadline 1 Nov 2026, 8:30:24 UTC
Received 27 Oct 2026, 8:46:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 24 sec
CPU time 14 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.49 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
09:31:02 (62764): wrapper (7.9.26016): starting
09:31:02 (62764): 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
09:31:03 (62764): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:31:03 (62764): 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
09:45:52 (62764): C:/Windows/system32/cmd.exe exited; CPU time 879.328125
09:45:52 (62764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 20685300 bytes.
Dumping objects ->
{3835546} normal block at 0x000002ADF07C6740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002ADF07C69E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000002ADF07C66D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000002ADF07C6DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002ADF07C6C80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000002ADF25CCBD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002ADF25DF7B0, 85 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) : {3835457} normal block at 0x000002ADF07BF210, 8 bytes long.
 Data: <  v&#240;&#173;   > 00 00 76 F0 AD 02 00 00 
{3834685} normal block at 0x000002ADF25DEDB0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002ADF07BEA90, 8 bytes long.
 Data: <P&#190;~&#240;&#173;   > 50 BE 7E F0 AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002ADF07C09C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002ADF07B5DA0, 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 0x000002ADF07C7AE0, 16 bytes long.
 Data: <x&#131;|&#240;&#173;           > 78 83 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002ADF07C7FE0, 16 bytes long.
 Data: <P&#131;|&#240;&#173;           > 50 83 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ADF07C04B0, 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 0x000002ADF07C7770, 16 bytes long.
 Data: <(&#131;|&#240;&#173;           > 28 83 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ADF07C7630, 16 bytes long.
 Data: < &#131;|&#240;&#173;           > 00 83 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ADF07C7360, 16 bytes long.
 Data: <&#216;&#130;|&#240;&#173;           > D8 82 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002ADF07C7F90, 16 bytes long.
 Data: <&#176;&#130;|&#240;&#173;           > B0 82 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ADF07C67B0, 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 0x000002ADF07C7EA0, 16 bytes long.
 Data: <&#232;&#229;{&#240;&#173;           > E8 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002ADF07BF9D0, 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 0x000002ADF07C72C0, 16 bytes long.
 Data: <&#192;&#229;{&#240;&#173;           > C0 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ADF07C7A90, 16 bytes long.
 Data: < &#229;{&#240;&#173;           > 98 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ADF07C7450, 16 bytes long.
 Data: <p&#229;{&#240;&#173;           > 70 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ADF07C70E0, 16 bytes long.
 Data: <H&#229;{&#240;&#173;           > 48 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ADF07C7D10, 16 bytes long.
 Data: < &#229;{&#240;&#173;           > 20 E5 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ADF07C7E50, 16 bytes long.
 Data: <&#248;&#228;{&#240;&#173;           > F8 E4 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ADF07C01B0, 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 0x000002ADF07C7E00, 16 bytes long.
 Data: <&#208;&#228;{&#240;&#173;           > D0 E4 7B F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ADF07BE4D0, 320 bytes long.
 Data: < ~|&#240;&#173;   &#176; |&#240;&#173;   > 00 7E 7C F0 AD 02 00 00 B0 01 7C F0 AD 02 00 00 
{276} normal block at 0x000002ADF07C7310, 16 bytes long.
 Data: < &#130;|&#240;&#173;           > 90 82 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002ADF07C76D0, 16 bytes long.
 Data: <h&#130;|&#240;&#173;           > 68 82 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ADF07C0030, 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 0x000002ADF07C7900, 16 bytes long.
 Data: <@&#130;|&#240;&#173;           > 40 82 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ADF07BFCD0, 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 0x000002ADF07C73B0, 16 bytes long.
 Data: <  |&#240;&#173;           > 88 81 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ADF07C7220, 16 bytes long.
 Data: <` |&#240;&#173;           > 60 81 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ADF07C7090, 16 bytes long.
 Data: <8 |&#240;&#173;           > 38 81 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ADF07C7DB0, 16 bytes long.
 Data: <  |&#240;&#173;           > 10 81 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ADF07C74A0, 16 bytes long.
 Data: <&#232; |&#240;&#173;           > E8 80 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ADF07C7180, 16 bytes long.
 Data: <&#192; |&#240;&#173;           > C0 80 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002ADF07C7270, 16 bytes long.
 Data: <0k|&#240;&#173;           > 30 6B 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ADF07C6B30, 40 bytes long.
 Data: <pr|&#240;&#173;   &#208;&#203;\&#242;&#173;   > 70 72 7C F0 AD 02 00 00 D0 CB 5C F2 AD 02 00 00 
{262} normal block at 0x000002ADF07C7860, 16 bytes long.
 Data: <&#160; |&#240;&#173;           > A0 80 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002ADF07C7130, 16 bytes long.
 Data: <x |&#240;&#173;           > 78 80 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ADF07BFFD0, 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 0x000002ADF07C7A40, 16 bytes long.
 Data: <P |&#240;&#173;           > 50 80 7C F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002ADF07C8050, 992 bytes long.
 Data: <@z|&#240;&#173;   &#208;&#255;{&#240;&#173;   > 40 7A 7C F0 AD 02 00 00 D0 FF 7B F0 AD 02 00 00 
{94} normal block at 0x000002ADF07C0330, 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 0x000002ADF07BF490, 16 bytes long.
 Data: < &#238;z&#240;&#173;           > 20 EE 7A F0 AD 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002ADF07AEE20, 40 bytes long.
 Data: < &#244;{&#240;&#173;   0 |&#240;&#173;   > 90 F4 7B F0 AD 02 00 00 30 03 7C F0 AD 02 00 00 
{71} normal block at 0x000002ADF07BF3F0, 16 bytes long.
 Data: < &#234;w&#175;&#247;           > 80 EA 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ADF07BF030, 16 bytes long.
 Data: <@&#233;w&#175;&#247;           > 40 E9 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ADF07BF1C0, 16 bytes long.
 Data: <&#248;Wt&#175;&#247;           > F8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ADF07BE860, 16 bytes long.
 Data: <&#216;Wt&#175;&#247;           > D8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ADF07BF170, 16 bytes long.
 Data: <P t&#175;&#247;           > 50 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ADF07BF120, 16 bytes long.
 Data: <0 t&#175;&#247;           > 30 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ADF07BEC70, 16 bytes long.
 Data: <&#224; t&#175;&#247;           > E0 02 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ADF07BF580, 16 bytes long.
 Data: <  t&#175;&#247;           > 10 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ADF07BE9F0, 16 bytes long.
 Data: <p t&#175;&#247;           > 70 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002ADF07BE900, 16 bytes long.
 Data: < &#192;r&#175;&#247;           > 18 C0 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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