Task 38685544

Name test_609-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8489_0
Workunit 31627008
Created 27 Oct 2026, 21:37:20 UTC
Sent 27 Oct 2026, 21:37:29 UTC
Report deadline 1 Nov 2026, 21:37:29 UTC
Received 28 Oct 2026, 1:12:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 42 min 52 sec
CPU time 35 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.81 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:52:56 (24908): wrapper (7.9.26016): starting
22:52:56 (24908): 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
22:53:02 (24908): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:53:02 (24908): 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 'E:\BOINC\slots\4\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 'E:\BOINC\slots\4\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
23:33:27 (24908): C:/Windows/system32/cmd.exe exited; CPU time 2110.390625
23:33:27 (24908): 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: 45291201 bytes.
Dumping objects ->
{3835197} normal block at 0x000001B8AE67E540, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x000001B8B01E62D0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x000001B8B01E5C70, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x000001B8B01E5C10, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x000001B8B01E6210, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000001B8AE67E4D0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001B8AE677BF0, 8 bytes long.
 Data: <  `&#174;&#184;   > 00 00 60 AE B8 01 00 00 
{3833953} normal block at 0x000001B8AE678730, 8 bytes long.
 Data: <P:"&#176;&#184;   > 50 3A 22 B0 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B8AE681B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B8AE665FC0, 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 0x000001B8AE6838E0, 16 bytes long.
 Data: <&#184;=h&#174;&#184;           > B8 3D 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B8AE6837A0, 16 bytes long.
 Data: < =h&#174;&#184;           > 90 3D 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B8AE67D100, 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 0x000001B8AE683700, 16 bytes long.
 Data: <h=h&#174;&#184;           > 68 3D 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B8AE683660, 16 bytes long.
 Data: <@=h&#174;&#184;           > 40 3D 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B8AE683070, 16 bytes long.
 Data: < =h&#174;&#184;           > 18 3D 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B8AE6835C0, 16 bytes long.
 Data: <&#240;<h&#174;&#184;           > F0 3C 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B8AE67E310, 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 0x000001B8AE683610, 16 bytes long.
 Data: <&#248;&#191;f&#174;&#184;           > F8 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8AE67CCE0, 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 0x000001B8AE683020, 16 bytes long.
 Data: <&#208;&#191;f&#174;&#184;           > D0 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B8AE683520, 16 bytes long.
 Data: <&#168;&#191;f&#174;&#184;           > A8 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B8AE6834D0, 16 bytes long.
 Data: < &#191;f&#174;&#184;           > 80 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B8AE683750, 16 bytes long.
 Data: <X&#191;f&#174;&#184;           > 58 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B8AE682FD0, 16 bytes long.
 Data: <0&#191;f&#174;&#184;           > 30 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B8AE682F80, 16 bytes long.
 Data: < &#191;f&#174;&#184;           > 08 BF 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B8AE67C6E0, 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 0x000001B8AE6832F0, 16 bytes long.
 Data: <&#224;&#190;f&#174;&#184;           > E0 BE 66 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B8AE66BEE0, 320 bytes long.
 Data: <&#240;2h&#174;&#184;   &#224;&#198;g&#174;&#184;   > F0 32 68 AE B8 01 00 00 E0 C6 67 AE B8 01 00 00 
{272} normal block at 0x000001B8AE682CB0, 16 bytes long.
 Data: <&#208;<h&#174;&#184;           > D0 3C 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B8AE6833E0, 16 bytes long.
 Data: <&#168;<h&#174;&#184;           > A8 3C 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B8AE67C680, 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 0x000001B8AE682C60, 16 bytes long.
 Data: < <h&#174;&#184;           > 80 3C 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8AE67CD40, 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 0x000001B8AE682C10, 16 bytes long.
 Data: <&#200;;h&#174;&#184;           > C8 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8AE683390, 16 bytes long.
 Data: <&#160;;h&#174;&#184;           > A0 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B8AE682B20, 16 bytes long.
 Data: <x;h&#174;&#184;           > 78 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B8AE682BC0, 16 bytes long.
 Data: <P;h&#174;&#184;           > 50 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8AE682AD0, 16 bytes long.
 Data: <(;h&#174;&#184;           > 28 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B8AE6832A0, 16 bytes long.
 Data: < ;h&#174;&#184;           > 00 3B 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8AE682EE0, 16 bytes long.
 Data: < &#227;g&#174;&#184;           > 80 E3 67 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B8AE67E380, 40 bytes long.
 Data: <&#224;.h&#174;&#184;   &#208;&#228;g&#174;&#184;   > E0 2E 68 AE B8 01 00 00 D0 E4 67 AE B8 01 00 00 
{258} normal block at 0x000001B8AE683980, 16 bytes long.
 Data: <&#224;:h&#174;&#184;           > E0 3A 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B8AE683200, 16 bytes long.
 Data: <&#184;:h&#174;&#184;           > B8 3A 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B8AE67D580, 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 0x000001B8AE683840, 16 bytes long.
 Data: < :h&#174;&#184;           > 90 3A 68 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B8AE683A90, 992 bytes long.
 Data: <@8h&#174;&#184;    &#213;g&#174;&#184;   > 40 38 68 AE B8 01 00 00 80 D5 67 AE B8 01 00 00 
{90} normal block at 0x000001B8AE67D520, 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 0x000001B8AE678370, 16 bytes long.
 Data: < &#231;g&#174;&#184;           > 00 E7 67 AE B8 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001B8AE67E700, 40 bytes long.
 Data: <p&#131;g&#174;&#184;    &#213;g&#174;&#184;   > 70 83 67 AE B8 01 00 00 20 D5 67 AE B8 01 00 00 
{67} normal block at 0x000001B8AE677E20, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B8AE678140, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B8AE6780F0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B8AE6784B0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B8AE677DD0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B8AE678000, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B8AE677A60, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B8AE677D80, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B8AE678230, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B8AE6786E0, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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