Task 38649013

Name test_249-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND3873_0
Workunit 31593689
Created 23 Oct 2026, 20:58:05 UTC
Sent 23 Oct 2026, 21:32:07 UTC
Report deadline 28 Oct 2026, 21:32:07 UTC
Received 23 Oct 2026, 22:15:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 41 min 40 sec
CPU time 37 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.33 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:33:57 (36564): wrapper (7.9.26016): starting
18:33:57 (36564): 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
18:33:58 (36564): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:33:58 (36564): 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\2\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\2\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
19:14:24 (36564): C:/Windows/system32/cmd.exe exited; CPU time 2225.703125
19:14:24 (36564): 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: 41617679 bytes.
Dumping objects ->
{3835223} normal block at 0x000001C802200A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001C802201480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001C802200FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001C802201250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001C8022007D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001C8022BCD50, 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) : {3835135} normal block at 0x000001C80065C410, 8 bytes long.
 Data: <  ^ &#200;   > 00 00 5E 00 C8 01 00 00 
{3833977} normal block at 0x000001C80065C8C0, 8 bytes long.
 Data: <  5 &#200;   > 20 8D 35 02 C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001C80065D900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001C800656C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001C800665AE0, 16 bytes long.
 Data: <&#248;ef &#200;           > F8 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C800665A40, 16 bytes long.
 Data: <&#208;ef &#200;           > D0 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C80065ED40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001C8006659F0, 16 bytes long.
 Data: <&#168;ef &#200;           > A8 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C800665F40, 16 bytes long.
 Data: < ef &#200;           > 80 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C8006659A0, 16 bytes long.
 Data: <Xef &#200;           > 58 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C800666080, 16 bytes long.
 Data: <0ef &#200;           > 30 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C80065FC70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001C800665950, 16 bytes long.
 Data: <&#184;&#252;d &#200;           > B8 FC 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C80065F280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001C800665EF0, 16 bytes long.
 Data: < &#252;d &#200;           > 90 FC 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C800665310, 16 bytes long.
 Data: <h&#252;d &#200;           > 68 FC 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C800665E50, 16 bytes long.
 Data: <@&#252;d &#200;           > 40 FC 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C800666030, 16 bytes long.
 Data: < &#252;d &#200;           > 18 FC 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C800666120, 16 bytes long.
 Data: <&#240;&#251;d &#200;           > F0 FB 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C800665D60, 16 bytes long.
 Data: <&#200;&#251;d &#200;           > C8 FB 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C80065E620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001C8006654A0, 16 bytes long.
 Data: <&#160;&#251;d &#200;           > A0 FB 64 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C80064FBA0, 320 bytes long.
 Data: <&#160;Tf &#200;    &#230;e &#200;   > A0 54 66 00 C8 01 00 00 20 E6 65 00 C8 01 00 00 
{284} normal block at 0x000001C800666260, 16 bytes long.
 Data: < ef &#200;           > 10 65 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C800665BD0, 16 bytes long.
 Data: <&#232;df &#200;           > E8 64 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C80065E680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001C800665A90, 16 bytes long.
 Data: <&#192;df &#200;           > C0 64 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C80065ECE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001C800665400, 16 bytes long.
 Data: < df &#200;           > 08 64 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C8006654F0, 16 bytes long.
 Data: <&#224;cf &#200;           > E0 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C800665FE0, 16 bytes long.
 Data: <&#184;cf &#200;           > B8 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C8006658B0, 16 bytes long.
 Data: < cf &#200;           > 90 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C800665680, 16 bytes long.
 Data: <hcf &#200;           > 68 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C8006653B0, 16 bytes long.
 Data: <@cf &#200;           > 40 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C800666170, 16 bytes long.
 Data: <0&#247;e &#200;           > 30 F7 65 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C80065F730, 40 bytes long.
 Data: <paf &#200;   P&#205;+ &#200;   > 70 61 66 00 C8 01 00 00 50 CD 2B 02 C8 01 00 00 
{270} normal block at 0x000001C800665900, 16 bytes long.
 Data: < cf &#200;           > 20 63 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C8006656D0, 16 bytes long.
 Data: <&#248;bf &#200;           > F8 62 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C80065EF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001C800665C70, 16 bytes long.
 Data: <&#208;bf &#200;           > D0 62 66 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C8006662D0, 992 bytes long.
 Data: <p\f &#200;    &#239;e &#200;   > 70 5C 66 00 C8 01 00 00 20 EF 65 00 C8 01 00 00 
{102} normal block at 0x000001C80065EE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001C80065CC80, 16 bytes long.
 Data: < &#248;e &#200;           > 80 F8 65 00 C8 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001C80065F880, 40 bytes long.
 Data: < &#204;e &#200;   `&#238;e &#200;   > 80 CC 65 00 C8 01 00 00 60 EE 65 00 C8 01 00 00 
{79} normal block at 0x000001C80065CBE0, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001C80065C7D0, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001C80065C6E0, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C80065C5F0, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C80065C960, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C80065C690, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C80065C320, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C80065C820, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C80065C140, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C80065CE10, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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