Task 38669530

Name test_128-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4886_0
Workunit 31611866
Created 25 Oct 2026, 14:49:34 UTC
Sent 25 Oct 2026, 14:49:42 UTC
Report deadline 30 Oct 2026, 14:49:42 UTC
Received 25 Oct 2026, 19:30:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 23 min 17 sec
CPU time 18 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.08 MB
Peak swap size 3.96 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:53:07 (15116): wrapper (7.9.26016): starting
00:53:07 (15116): 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
00:53:09 (15116): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:09 (15116): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3841867} normal block at 0x00000226032DFDA0, 8 bytes long.
 Data: <  t &   > 00 00 74 03 26 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3840725} normal block at 0x00000226050578E0, 1080 bytes long.
 Data: < O              > B4 4F 00 00 CD CD CD CD 98 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000226032E0C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
00:59:43 (25168): wrapper (7.9.26016): starting
00:59:43 (25168): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1444} normal block at 0x0000021E5A2E7940, 8 bytes long.
 Data: <  uZ    > 00 00 75 5A 1E 02 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000021E5A2E8180, 1080 bytes long.
 Data: < 3      H       > C4 33 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
02:26:08 (9636): wrapper (7.9.26016): starting
02:26:08 (9636): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
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
02:29:51 (9636): C:/Windows/system32/cmd.exe exited; CPU time 195.281250
02:29:51 (9636): 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: 3698248 bytes.
Dumping objects ->
{1532} normal block at 0x0000015602A949C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1521} normal block at 0x0000015602A94790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1510} normal block at 0x0000015602A94950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1499} normal block at 0x0000015602A94870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1488} normal block at 0x0000015602A94720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1457} normal block at 0x0000015602A7EF70, 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) : {1444} normal block at 0x0000015602A96650, 8 bytes long.
 Data: <    V   > 00 00 EF 02 56 01 00 00 
{303} normal block at 0x0000015602A95CF0, 8 bytes long.
 Data: <Ph  V   > 50 68 A9 02 56 01 00 00 
{294} normal block at 0x0000015602A85EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015602A95C00, 16 bytes long.
 Data: <HW  V           > 48 57 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015602A95B60, 16 bytes long.
 Data: < W  V           > 20 57 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015602A8F530, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015602A96240, 16 bytes long.
 Data: < V  V           > F8 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015602A95C50, 16 bytes long.
 Data: < V  V           > D0 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015602A96510, 16 bytes long.
 Data: < V  V           > A8 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015602A96600, 16 bytes long.
 Data: < V  V           > 80 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015602A946B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015602A96010, 16 bytes long.
 Data: <    V           > 18 90 A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015602A8F170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015602A95B10, 16 bytes long.
 Data: <    V           > F0 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015602A95F70, 16 bytes long.
 Data: <    V           > C8 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015602A96330, 16 bytes long.
 Data: <    V           > A0 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015602A961F0, 16 bytes long.
 Data: <x   V           > 78 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015602A95AC0, 16 bytes long.
 Data: <P   V           > 50 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015602A96740, 16 bytes long.
 Data: <(   V           > 28 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015602A8F2F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015602A95E80, 16 bytes long.
 Data: <    V           > 00 8F A8 02 56 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015602A88F00, 320 bytes long.
 Data: < ^  V       V   > 80 5E A9 02 56 01 00 00 F0 F2 A8 02 56 01 00 00 
{273} normal block at 0x0000015602A964C0, 16 bytes long.
 Data: <`V  V           > 60 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015602A95F20, 16 bytes long.
 Data: <8V  V           > 38 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015602A8EFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015602A95930, 16 bytes long.
 Data: < V  V           > 10 56 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015602A8EAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015602A96790, 16 bytes long.
 Data: <XU  V           > 58 55 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015602A95CA0, 16 bytes long.
 Data: <0U  V           > 30 55 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015602A96290, 16 bytes long.
 Data: < U  V           > 08 55 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015602A95ED0, 16 bytes long.
 Data: < T  V           > E0 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015602A958E0, 16 bytes long.
 Data: < T  V           > B8 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015602A8FD00, 16 bytes long.
 Data: < T  V           > 90 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015602A8FB20, 16 bytes long.
 Data: < H  V           > 00 48 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015602A94800, 40 bytes long.
 Data: <    V   p   V   > 20 FB A8 02 56 01 00 00 70 EF A7 02 56 01 00 00 
{259} normal block at 0x0000015602A8FFD0, 16 bytes long.
 Data: <pT  V           > 70 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015602A8F850, 16 bytes long.
 Data: <HT  V           > 48 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015602A8F0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015602A8FCB0, 16 bytes long.
 Data: < T  V           > 20 54 A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015602A95420, 992 bytes long.
 Data: <    V       V   > B0 FC A8 02 56 01 00 00 B0 F0 A8 02 56 01 00 00 
{91} normal block at 0x0000015602A8EF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015602A90340, 16 bytes long.
 Data: < J  V           > A0 4A A9 02 56 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015602A94AA0, 40 bytes long.
 Data: <@   V       V   > 40 03 A9 02 56 01 00 00 90 EF A8 02 56 01 00 00 
{68} normal block at 0x0000015602A90020, 16 bytes long.
 Data: <                > 80 EA BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015602A90660, 16 bytes long.
 Data: <@               > 40 E9 BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015602A90430, 16 bytes long.
 Data: < W              > F8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015602A8FF30, 16 bytes long.
 Data: < W              > D8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015602A8FD50, 16 bytes long.
 Data: <P               > 50 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015602A90610, 16 bytes long.
 Data: <0               > 30 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015602A8FA80, 16 bytes long.
 Data: <                > E0 02 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015602A905C0, 16 bytes long.
 Data: <                > 10 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015602A8FB70, 16 bytes long.
 Data: <p               > 70 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015602A90520, 16 bytes long.
 Data: <                > 18 C0 B7 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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