Task 38666780

Name test_376-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0468_0
Workunit 31609555
Created 25 Oct 2026, 4:45:33 UTC
Sent 25 Oct 2026, 6:41:44 UTC
Report deadline 30 Oct 2026, 6:41:44 UTC
Received 25 Oct 2026, 8:37:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637963
Run time 52 min 40 sec
CPU time 50 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.20 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:45:21 (22788): wrapper (7.9.26016): starting
03:45:21 (22788): 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
03:45:22 (22788): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:45:22 (22788): 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\18\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\18\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
04:37:17 (22788): C:/Windows/system32/cmd.exe exited; CPU time 3009.312500
04:37:17 (22788): 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: 51824381 bytes.
Dumping objects ->
{3835451} normal block at 0x0000012BCC18CFC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000012BCA505480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000012BCA5053A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000012BCA505330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000012BCA5052C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000012BCC1D6F40, 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) : {3835363} normal block at 0x0000012BCA4FDA80, 8 bytes long.
 Data: <  L&#202;+   > 00 00 4C CA 2B 01 00 00 
{3833971} normal block at 0x0000012BCA4FE160, 8 bytes long.
 Data: <@&#151;R&#202;+   > 40 97 52 CA 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000012BCA502170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000012BCA4F6200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000012BCA5062C0, 16 bytes long.
 Data: <&#232;lP&#202;+           > E8 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000012BCA506900, 16 bytes long.
 Data: <&#192;lP&#202;+           > C0 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012BCA4FFFC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000012BCA5064F0, 16 bytes long.
 Data: < lP&#202;+           > 98 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012BCA506810, 16 bytes long.
 Data: <plP&#202;+           > 70 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012BCA506220, 16 bytes long.
 Data: <HlP&#202;+           > 48 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012BCA505E60, 16 bytes long.
 Data: < lP&#202;+           > 20 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012BCA504F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000012BCA5061D0, 16 bytes long.
 Data: <&#216;&#246;N&#202;+           > D8 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012BCA4FFC00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000012BCA506130, 16 bytes long.
 Data: <&#176;&#246;N&#202;+           > B0 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012BCA505E10, 16 bytes long.
 Data: < &#246;N&#202;+           > 88 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012BCA505DC0, 16 bytes long.
 Data: <`&#246;N&#202;+           > 60 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012BCA5066D0, 16 bytes long.
 Data: <8&#246;N&#202;+           > 38 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012BCA506310, 16 bytes long.
 Data: < &#246;N&#202;+           > 10 F6 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012BCA5065E0, 16 bytes long.
 Data: <&#232;&#245;N&#202;+           > E8 F5 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012BCA4FFF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000012BCA506860, 16 bytes long.
 Data: <&#192;&#245;N&#202;+           > C0 F5 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012BCA4EF5C0, 320 bytes long.
 Data: <`hP&#202;+    &#255;O&#202;+   > 60 68 50 CA 2B 01 00 00 00 FF 4F CA 2B 01 00 00 
{281} normal block at 0x0000012BCA5064A0, 16 bytes long.
 Data: < lP&#202;+           > 00 6C 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012BCA505A50, 16 bytes long.
 Data: <&#216;kP&#202;+           > D8 6B 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012BCA5001A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000012BCA506090, 16 bytes long.
 Data: <&#176;kP&#202;+           > B0 6B 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012BCA4FFDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000012BCA506180, 16 bytes long.
 Data: <&#248;jP&#202;+           > F8 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012BCA505B90, 16 bytes long.
 Data: <&#208;jP&#202;+           > D0 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012BCA505B40, 16 bytes long.
 Data: <&#168;jP&#202;+           > A8 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012BCA505A00, 16 bytes long.
 Data: < jP&#202;+           > 80 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012BCA506680, 16 bytes long.
 Data: <XjP&#202;+           > 58 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012BCA506630, 16 bytes long.
 Data: <0jP&#202;+           > 30 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012BCA506720, 16 bytes long.
 Data: <&#176;OP&#202;+           > B0 4F 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012BCA504FB0, 40 bytes long.
 Data: < gP&#202;+   @o &#204;+   > 20 67 50 CA 2B 01 00 00 40 6F 1D CC 2B 01 00 00 
{267} normal block at 0x0000012BCA506450, 16 bytes long.
 Data: < jP&#202;+           > 10 6A 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012BCA505D70, 16 bytes long.
 Data: <&#232;iP&#202;+           > E8 69 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012BCA4FF900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000012BCA506360, 16 bytes long.
 Data: <&#192;iP&#202;+           > C0 69 50 CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012BCA5069C0, 992 bytes long.
 Data: <`cP&#202;+    &#249;O&#202;+   > 60 63 50 CA 2B 01 00 00 00 F9 4F CA 2B 01 00 00 
{99} normal block at 0x0000012BCA500080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000012BCA4FE390, 16 bytes long.
 Data: <p&#233;N&#202;+           > 70 E9 4E CA 2B 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000012BCA4EE970, 40 bytes long.
 Data: < &#227;O&#202;+     P&#202;+   > 90 E3 4F CA 2B 01 00 00 80 00 50 CA 2B 01 00 00 
{76} normal block at 0x0000012BCA4FE340, 16 bytes long.
 Data: < &#234;&#176;M&#246;           > 80 EA B0 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000012BCA4FE2F0, 16 bytes long.
 Data: <@&#233;&#176;M&#246;           > 40 E9 B0 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000012BCA4FE4D0, 16 bytes long.
 Data: <&#248;W&#173;M&#246;           > F8 57 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012BCA4FDDF0, 16 bytes long.
 Data: <&#216;W&#173;M&#246;           > D8 57 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012BCA4FD9E0, 16 bytes long.
 Data: <P &#173;M&#246;           > 50 04 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012BCA4FE480, 16 bytes long.
 Data: <0 &#173;M&#246;           > 30 04 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012BCA4FE1B0, 16 bytes long.
 Data: <&#224; &#173;M&#246;           > E0 02 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012BCA4FDEE0, 16 bytes long.
 Data: <  &#173;M&#246;           > 10 04 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012BCA4FDDA0, 16 bytes long.
 Data: <p &#173;M&#246;           > 70 04 AD 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012BCA4FE3E0, 16 bytes long.
 Data: < &#192;&#171;M&#246;           > 18 C0 AB 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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