Task 38698303

Name test_611-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8691_0
Workunit 31638827
Created 2 Nov 2026, 8:58:10 UTC
Sent 2 Nov 2026, 8:58:12 UTC
Report deadline 7 Nov 2026, 8:58:12 UTC
Received 2 Nov 2026, 9:49:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 391421
Run time 44 min
CPU time 41 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.78 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:05:56 (34500): wrapper (7.9.26016): starting
10:05:56 (34500): 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
10:05:57 (34500): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:05:57 (34500): 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 'D:\ProgramData\BOINC\slots\10\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 'D:\ProgramData\BOINC\slots\10\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
10:48:49 (34500): C:/Windows/system32/cmd.exe exited; CPU time 2469.984375
10:48:49 (34500): 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: 50072315 bytes.
Dumping objects ->
{3835453} normal block at 0x000002AE31C94750, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835442} normal block at 0x000002AE31C941A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835431} normal block at 0x000002AE31C940C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835420} normal block at 0x000002AE31C943D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x000002AE31C94360, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835378} normal block at 0x000002AE3392A9A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835365} normal block at 0x000002AE31C8FEA0, 8 bytes long.
 Data: <  &#195;1&#174;   > 00 00 C3 31 AE 02 00 00 
{3833953} normal block at 0x000002AE31C90490, 8 bytes long.
 Data: <P&#219;&#199;1&#174;   > 50 DB C7 31 AE 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002AE31C86A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AE31C87520, 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 0x000002AE31C94B50, 16 bytes long.
 Data: <Ha&#201;1&#174;           > 48 61 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AE31C95320, 16 bytes long.
 Data: < a&#201;1&#174;           > 20 61 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AE31C90EB0, 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 0x000002AE31C952D0, 16 bytes long.
 Data: <&#248;`&#201;1&#174;           > F8 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AE31C955A0, 16 bytes long.
 Data: <&#208;`&#201;1&#174;           > D0 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AE31C957D0, 16 bytes long.
 Data: <&#168;`&#201;1&#174;           > A8 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AE31C94B00, 16 bytes long.
 Data: < `&#201;1&#174;           > 80 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AE31C7FA80, 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 0x000002AE31C95140, 16 bytes long.
 Data: < &#250;&#199;1&#174;           > 18 FA C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AE31C90AF0, 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 0x000002AE31C94FB0, 16 bytes long.
 Data: <&#240;&#249;&#199;1&#174;           > F0 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AE31C951E0, 16 bytes long.
 Data: <&#200;&#249;&#199;1&#174;           > C8 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AE31C94F60, 16 bytes long.
 Data: <&#160;&#249;&#199;1&#174;           > A0 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AE31C94C90, 16 bytes long.
 Data: <x&#249;&#199;1&#174;           > 78 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AE31C950F0, 16 bytes long.
 Data: <P&#249;&#199;1&#174;           > 50 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AE31C95190, 16 bytes long.
 Data: <(&#249;&#199;1&#174;           > 28 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AE31C91030, 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 0x000002AE31C95460, 16 bytes long.
 Data: < &#249;&#199;1&#174;           > 00 F9 C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AE31C7F900, 320 bytes long.
 Data: <`T&#201;1&#174;   0 &#201;1&#174;   > 60 54 C9 31 AE 02 00 00 30 10 C9 31 AE 02 00 00 
{272} normal block at 0x000002AE31C959B0, 16 bytes long.
 Data: <``&#201;1&#174;           > 60 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AE31C94AB0, 16 bytes long.
 Data: <8`&#201;1&#174;           > 38 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AE31C91150, 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 0x000002AE31C950A0, 16 bytes long.
 Data: < `&#201;1&#174;           > 10 60 C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AE31C910F0, 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 0x000002AE31C94F10, 16 bytes long.
 Data: <X_&#201;1&#174;           > 58 5F C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AE31C94A60, 16 bytes long.
 Data: <0_&#201;1&#174;           > 30 5F C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AE31C95500, 16 bytes long.
 Data: < _&#201;1&#174;           > 08 5F C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AE31C95410, 16 bytes long.
 Data: <&#224;^&#201;1&#174;           > E0 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AE31C95050, 16 bytes long.
 Data: <&#184;^&#201;1&#174;           > B8 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AE31C95000, 16 bytes long.
 Data: < ^&#201;1&#174;           > 90 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AE31C95960, 16 bytes long.
 Data: < &#248;&#200;1&#174;           > 10 F8 C8 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AE31C8F810, 40 bytes long.
 Data: <`Y&#201;1&#174;   &#160;&#169;&#146;3&#174;   > 60 59 C9 31 AE 02 00 00 A0 A9 92 33 AE 02 00 00 
{258} normal block at 0x000002AE31C95280, 16 bytes long.
 Data: <p^&#201;1&#174;           > 70 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002AE31C94EC0, 16 bytes long.
 Data: <H^&#201;1&#174;           > 48 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002AE31C90D90, 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 0x000002AE31C956E0, 16 bytes long.
 Data: < ^&#201;1&#174;           > 20 5E C9 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002AE31C95E20, 992 bytes long.
 Data: <&#224;V&#201;1&#174;     &#201;1&#174;   > E0 56 C9 31 AE 02 00 00 90 0D C9 31 AE 02 00 00 
{90} normal block at 0x000002AE31C915D0, 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 0x000002AE31C8F900, 16 bytes long.
 Data: <P&#202;&#199;1&#174;           > 50 CA C7 31 AE 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002AE31C7CA50, 40 bytes long.
 Data: < &#249;&#200;1&#174;   &#208; &#201;1&#174;   > 00 F9 C8 31 AE 02 00 00 D0 15 C9 31 AE 02 00 00 
{67} normal block at 0x000002AE31C90530, 16 bytes long.
 Data: < &#234;rX&#247;           > 80 EA 72 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AE31C90800, 16 bytes long.
 Data: <@&#233;rX&#247;           > 40 E9 72 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AE31C90760, 16 bytes long.
 Data: <&#248;WoX&#247;           > F8 57 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AE31C90850, 16 bytes long.
 Data: <&#216;WoX&#247;           > D8 57 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AE31C8FB80, 16 bytes long.
 Data: <P oX&#247;           > 50 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AE31C90440, 16 bytes long.
 Data: <0 oX&#247;           > 30 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002AE31C90210, 16 bytes long.
 Data: <&#224; oX&#247;           > E0 02 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002AE31C90120, 16 bytes long.
 Data: <  oX&#247;           > 10 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002AE31C903F0, 16 bytes long.
 Data: <p oX&#247;           > 70 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002AE31C905D0, 16 bytes long.
 Data: < &#192;mX&#247;           > 18 C0 6D 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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