Task 38670345

Name test_915-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7595_0
Workunit 31612600
Created 25 Oct 2026, 17:14:20 UTC
Sent 25 Oct 2026, 17:14:25 UTC
Report deadline 30 Oct 2026, 17:14:25 UTC
Received 25 Oct 2026, 18:04:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 36 min 14 sec
CPU time 34 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 797.87 MB
Peak swap size 9.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:28:29 (22932): wrapper (7.9.26016): starting
13:28:29 (22932): 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
13:28:30 (22932): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:28:30 (22932): 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\3\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\3\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
14:04:05 (22932): C:/Windows/system32/cmd.exe exited; CPU time 2066.328125
14:04:05 (22932): 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: 32867785 bytes.
Dumping objects ->
{3835479} normal block at 0x0000026752F54BD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000026752F54AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000026752F54D20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000026752F54690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000026752F54A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x0000026754DB9DE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000026754DCE300, 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) : {3835390} normal block at 0x0000026752F501E0, 8 bytes long.
 Data: <  ]Sg   > 00 00 5D 53 67 02 00 00 
{3834663} normal block at 0x0000026754DCDE30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000026752F4F510, 8 bytes long.
 Data: < @&#245;Rg   > 80 40 F5 52 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026752F506B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026752F46160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000026752F56610, 16 bytes long.
 Data: <xU&#245;Rg           > 78 55 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026752F56160, 16 bytes long.
 Data: <PU&#245;Rg           > 50 55 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026752F4EBD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000026752F55B70, 16 bytes long.
 Data: <(U&#245;Rg           > 28 55 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026752F55B20, 16 bytes long.
 Data: < U&#245;Rg           > 00 55 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026752F55AD0, 16 bytes long.
 Data: <&#216;T&#245;Rg           > D8 54 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026752F559E0, 16 bytes long.
 Data: <&#176;T&#245;Rg           > B0 54 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026752F54A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000026752F563E0, 16 bytes long.
 Data: < &#237;&#243;Rg           > 98 ED F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026752F4EAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000026752F565C0, 16 bytes long.
 Data: <p&#237;&#243;Rg           > 70 ED F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026752F557B0, 16 bytes long.
 Data: <H&#237;&#243;Rg           > 48 ED F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026752F55760, 16 bytes long.
 Data: < &#237;&#243;Rg           > 20 ED F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026752F56200, 16 bytes long.
 Data: <&#248;&#236;&#243;Rg           > F8 EC F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026752F55D00, 16 bytes long.
 Data: <&#208;&#236;&#243;Rg           > D0 EC F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026752F56520, 16 bytes long.
 Data: <&#168;&#236;&#243;Rg           > A8 EC F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026752F4EA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000026752F56570, 16 bytes long.
 Data: < &#236;&#243;Rg           > 80 EC F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026752F3EC80, 320 bytes long.
 Data: <pe&#245;Rg   P&#234;&#244;Rg   > 70 65 F5 52 67 02 00 00 50 EA F4 52 67 02 00 00 
{272} normal block at 0x0000026752F55EE0, 16 bytes long.
 Data: < T&#245;Rg           > 90 54 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026752F56110, 16 bytes long.
 Data: <hT&#245;Rg           > 68 54 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026752F4E690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000026752F55A80, 16 bytes long.
 Data: <@T&#245;Rg           > 40 54 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026752F4F1D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000026752F564D0, 16 bytes long.
 Data: < S&#245;Rg           > 88 53 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026752F562F0, 16 bytes long.
 Data: <`S&#245;Rg           > 60 53 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026752F55FD0, 16 bytes long.
 Data: <8S&#245;Rg           > 38 53 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026752F55E40, 16 bytes long.
 Data: < S&#245;Rg           > 10 53 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026752F4F8D0, 16 bytes long.
 Data: <&#232;R&#245;Rg           > E8 52 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026752F500A0, 16 bytes long.
 Data: <&#192;R&#245;Rg           > C0 52 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026752F4F790, 16 bytes long.
 Data: < M&#245;Rg           > 90 4D F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026752F54D90, 40 bytes long.
 Data: < &#247;&#244;Rg   &#224; &#219;Tg   > 90 F7 F4 52 67 02 00 00 E0 9D DB 54 67 02 00 00 
{258} normal block at 0x0000026752F4F9C0, 16 bytes long.
 Data: <&#160;R&#245;Rg           > A0 52 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026752F4F740, 16 bytes long.
 Data: <xR&#245;Rg           > 78 52 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026752F4E9F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000026752F4FF10, 16 bytes long.
 Data: <PR&#245;Rg           > 50 52 F5 52 67 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026752F55250, 992 bytes long.
 Data: < &#255;&#244;Rg   &#240;&#233;&#244;Rg   > 10 FF F4 52 67 02 00 00 F0 E9 F4 52 67 02 00 00 
{90} normal block at 0x0000026752F4E510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000026752F4FD30, 16 bytes long.
 Data: <@&#222;&#243;Rg           > 40 DE F3 52 67 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000026752F3DE40, 40 bytes long.
 Data: <0&#253;&#244;Rg    &#229;&#244;Rg   > 30 FD F4 52 67 02 00 00 10 E5 F4 52 67 02 00 00 
{67} normal block at 0x0000026752F4FC40, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026752F4F970, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026752F4F5B0, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026752F4F650, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026752F4F3D0, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026752F4F600, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026752F4F380, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026752F4FBF0, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026752F50230, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026752F4F560, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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