Task 38696380

Name test_404-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3875_0
Workunit 31637013
Created 31 Oct 2026, 22:50:48 UTC
Sent 31 Oct 2026, 22:50:54 UTC
Report deadline 5 Nov 2026, 22:50:54 UTC
Received 31 Oct 2026, 23:34:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640529
Run time 41 min 38 sec
CPU time 37 min 20 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 702.71 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:53:04 (10212): wrapper (7.9.26016): starting
15:53:04 (10212): 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
15:53:05 (10212): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:53:05 (10212): 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:\BOINC\slots\6\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:\BOINC\slots\6\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
16:33:36 (10212): C:/Windows/system32/cmd.exe exited; CPU time 2240.953125
16:33:36 (10212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 26955683 bytes.
Dumping objects ->
{3835192} normal block at 0x000001C62CFC4BF0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000001C62EC85660, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835170} normal block at 0x000001C62EC85A80, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835159} normal block at 0x000001C62EC85C00, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835148} normal block at 0x000001C62EC86620, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x000001C62CFC4E90, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000001C62CFBD7E0, 8 bytes long.
 Data: <  1-&#198;   > 00 00 31 2D C6 01 00 00 
{3833949} normal block at 0x000001C62CFBD920, 8 bytes long.
 Data: < &#156;&#254;,&#198;   > 20 9C FE 2C C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C62CFC0CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C62CFB5EE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001C62CFC5740, 16 bytes long.
 Data: <&#248;b&#252;,&#198;           > F8 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C62CFC51A0, 16 bytes long.
 Data: <&#208;b&#252;,&#198;           > D0 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C62CFBEBF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001C62CFC5BA0, 16 bytes long.
 Data: <&#168;b&#252;,&#198;           > A8 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C62CFC56A0, 16 bytes long.
 Data: < b&#252;,&#198;           > 80 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C62CFC55B0, 16 bytes long.
 Data: <Xb&#252;,&#198;           > 58 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C62CFC5470, 16 bytes long.
 Data: <0b&#252;,&#198;           > 30 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C62CFC4D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001C62CFC54C0, 16 bytes long.
 Data: < &#231;&#251;,&#198;           > 88 E7 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C62CFBF130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001C62CFC50B0, 16 bytes long.
 Data: <`&#231;&#251;,&#198;           > 60 E7 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C62CFC5A60, 16 bytes long.
 Data: <8&#231;&#251;,&#198;           > 38 E7 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C62CFC5060, 16 bytes long.
 Data: < &#231;&#251;,&#198;           > 10 E7 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C62CFC5150, 16 bytes long.
 Data: <&#232;&#230;&#251;,&#198;           > E8 E6 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C62CFC5650, 16 bytes long.
 Data: <&#192;&#230;&#251;,&#198;           > C0 E6 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C62CFC5B00, 16 bytes long.
 Data: < &#230;&#251;,&#198;           > 98 E6 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C62CFBEE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001C62CFC5B50, 16 bytes long.
 Data: <p&#230;&#251;,&#198;           > 70 E6 FB 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C62CFBE670, 320 bytes long.
 Data: <P[&#252;,&#198;   0&#238;&#251;,&#198;   > 50 5B FC 2C C6 01 00 00 30 EE FB 2C C6 01 00 00 
{270} normal block at 0x000001C62CFC52E0, 16 bytes long.
 Data: < b&#252;,&#198;           > 10 62 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C62CFC5C90, 16 bytes long.
 Data: <&#232;a&#252;,&#198;           > E8 61 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C62CFBF550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001C62CFC5600, 16 bytes long.
 Data: <&#192;a&#252;,&#198;           > C0 61 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C62CFBEF50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001C62CFC58D0, 16 bytes long.
 Data: < a&#252;,&#198;           > 08 61 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C62CFC5010, 16 bytes long.
 Data: <&#224;`&#252;,&#198;           > E0 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C62CFC5100, 16 bytes long.
 Data: <&#184;`&#252;,&#198;           > B8 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C62CFC5970, 16 bytes long.
 Data: < `&#252;,&#198;           > 90 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C62CFC5DD0, 16 bytes long.
 Data: <h`&#252;,&#198;           > 68 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C62CFC5560, 16 bytes long.
 Data: <@`&#252;,&#198;           > 40 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C62CFC5240, 16 bytes long.
 Data: <&#224;H&#252;,&#198;           > E0 48 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C62CFC48E0, 40 bytes long.
 Data: <@R&#252;,&#198;    N&#252;,&#198;   > 40 52 FC 2C C6 01 00 00 90 4E FC 2C C6 01 00 00 
{256} normal block at 0x000001C62CFC5F10, 16 bytes long.
 Data: < `&#252;,&#198;           > 20 60 FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C62CFC57E0, 16 bytes long.
 Data: <&#248;_&#252;,&#198;           > F8 5F FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C62CFBF430, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001C62CFC5D30, 16 bytes long.
 Data: <&#208;_&#252;,&#198;           > D0 5F FC 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C62CFC5FD0, 992 bytes long.
 Data: <0]&#252;,&#198;   0&#244;&#251;,&#198;   > 30 5D FC 2C C6 01 00 00 30 F4 FB 2C C6 01 00 00 
{88} normal block at 0x000001C62CFBF670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001C62CFBD830, 16 bytes long.
 Data: <&#208;&#240;&#250;,&#198;           > D0 F0 FA 2C C6 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C62CFAF0D0, 40 bytes long.
 Data: <0&#216;&#251;,&#198;   p&#246;&#251;,&#198;   > 30 D8 FB 2C C6 01 00 00 70 F6 FB 2C C6 01 00 00 
{65} normal block at 0x000001C62CFBD740, 16 bytes long.
 Data: < &#234;&#193; &#247;           > 80 EA C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C62CFBD6F0, 16 bytes long.
 Data: <@&#233;&#193; &#247;           > 40 E9 C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C62CFBD010, 16 bytes long.
 Data: <&#248;W&#190; &#247;           > F8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C62CFBCE80, 16 bytes long.
 Data: <&#216;W&#190; &#247;           > D8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C62CFBD470, 16 bytes long.
 Data: <P &#190; &#247;           > 50 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C62CFBD650, 16 bytes long.
 Data: <0 &#190; &#247;           > 30 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C62CFBD1A0, 16 bytes long.
 Data: <&#224; &#190; &#247;           > E0 02 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C62CFBCFC0, 16 bytes long.
 Data: <  &#190; &#247;           > 10 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C62CFBD6A0, 16 bytes long.
 Data: <p &#190; &#247;           > 70 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C62CFBD2E0, 16 bytes long.
 Data: < &#192;&#188; &#247;           > 18 C0 BC 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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