Task 38681418

Name test_688-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5708_0
Workunit 31623083
Created 27 Oct 2026, 3:53:34 UTC
Sent 27 Oct 2026, 3:53:36 UTC
Report deadline 1 Nov 2026, 3:53:36 UTC
Received 27 Oct 2026, 4:29:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 24 sec
CPU time 14 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.46 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:14:25 (19412): wrapper (7.9.26016): starting
00:14:25 (19412): 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
00:14:26 (19412): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:14:26 (19412): 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\0\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\0\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
00:29:11 (19412): C:/Windows/system32/cmd.exe exited; CPU time 875.375000
00:29:11 (19412): 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: 21344123 bytes.
Dumping objects ->
{3835501} normal block at 0x000002752BD52F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000002752BD52E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002752BD52E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000002752BD52DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002752BD52D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000002752DA5AA30, 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) : {3835413} normal block at 0x000002752BD4C910, 8 bytes long.
 Data: <  -,u   > 00 00 2D 2C 75 02 00 00 
{3833939} normal block at 0x000002752BD4D5E0, 8 bytes long.
 Data: < A&#162;-u   > 90 41 A2 2D 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002752BD4DF60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002752BD456E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000002752BD53CE0, 16 bytes long.
 Data: <&#248;:&#213;+u           > F8 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002752BD54190, 16 bytes long.
 Data: <&#208;:&#213;+u           > D0 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002752BD52460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000002752BD545A0, 16 bytes long.
 Data: <&#168;:&#213;+u           > A8 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002752BD54A00, 16 bytes long.
 Data: < :&#213;+u           > 80 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002752BD546E0, 16 bytes long.
 Data: <X:&#213;+u           > 58 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002752BD54050, 16 bytes long.
 Data: <0:&#213;+u           > 30 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002752BD53040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000002752BD54820, 16 bytes long.
 Data: < &#147;&#212;+u           > 18 93 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002752BD51D40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000002752BD549B0, 16 bytes long.
 Data: <&#240;&#146;&#212;+u           > F0 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002752BD53C90, 16 bytes long.
 Data: <&#200;&#146;&#212;+u           > C8 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002752BD54910, 16 bytes long.
 Data: <&#160;&#146;&#212;+u           > A0 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002752BD54000, 16 bytes long.
 Data: <x&#146;&#212;+u           > 78 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002752BD53F60, 16 bytes long.
 Data: <P&#146;&#212;+u           > 50 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002752BD545F0, 16 bytes long.
 Data: <(&#146;&#212;+u           > 28 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002752BD51F20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000002752BD54370, 16 bytes long.
 Data: < &#146;&#212;+u           > 00 92 D4 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002752BD49200, 320 bytes long.
 Data: <pC&#213;+u     &#213;+u   > 70 43 D5 2B 75 02 00 00 20 1F D5 2B 75 02 00 00 
{265} normal block at 0x000002752BD53FB0, 16 bytes long.
 Data: < :&#213;+u           > 10 3A D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002752BD53D80, 16 bytes long.
 Data: <&#232;9&#213;+u           > E8 39 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002752BD52280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000002752BD54B90, 16 bytes long.
 Data: <&#192;9&#213;+u           > C0 39 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002752BD52220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000002752BD541E0, 16 bytes long.
 Data: < 9&#213;+u           > 08 39 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002752BD53C40, 16 bytes long.
 Data: <&#224;8&#213;+u           > E0 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002752BD53DD0, 16 bytes long.
 Data: <&#184;8&#213;+u           > B8 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002752BD54690, 16 bytes long.
 Data: < 8&#213;+u           > 90 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002752BD4CE60, 16 bytes long.
 Data: <h8&#213;+u           > 68 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002752BD4CD70, 16 bytes long.
 Data: <@8&#213;+u           > 40 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002752BD4CC30, 16 bytes long.
 Data: <P3&#213;+u           > 50 33 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002752BD53350, 40 bytes long.
 Data: <0&#204;&#212;+u   0&#170;&#165;-u   > 30 CC D4 2B 75 02 00 00 30 AA A5 2D 75 02 00 00 
{251} normal block at 0x000002752BD4D810, 16 bytes long.
 Data: < 8&#213;+u           > 20 38 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002752BD4D7C0, 16 bytes long.
 Data: <&#248;7&#213;+u           > F8 37 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002752BD51C80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002752BD4D3B0, 16 bytes long.
 Data: <&#208;7&#213;+u           > D0 37 D5 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000002752BD537D0, 992 bytes long.
 Data: <&#176;&#211;&#212;+u     &#213;+u   > B0 D3 D4 2B 75 02 00 00 80 1C D5 2B 75 02 00 00 
{83} normal block at 0x000002752BD51F80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002752BD4D720, 16 bytes long.
 Data: <p&#138;&#211;+u           > 70 8A D3 2B 75 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002752BD38A70, 40 bytes long.
 Data: < &#215;&#212;+u     &#213;+u   > 20 D7 D4 2B 75 02 00 00 80 1F D5 2B 75 02 00 00 
{60} normal block at 0x000002752BD4D6D0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002752BD4D630, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002752BD4D130, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002752BD4D400, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002752BD4D590, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002752BD4CC80, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002752BD4CF00, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002752BD4CA00, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002752BD4D310, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002752BD4C960, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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