Task 38684767

Name test_449-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0512_0
Workunit 31626271
Created 27 Oct 2026, 17:53:32 UTC
Sent 27 Oct 2026, 17:53:36 UTC
Report deadline 1 Nov 2026, 17:53:36 UTC
Received 27 Oct 2026, 20:01:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 1 min 41 sec
CPU time 57 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.87 MB
Peak swap size 2.21 GB
Peak disk usage 4.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:01:09 (27388): wrapper (7.9.26016): starting
21:01:09 (27388): 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
21:01:11 (27388): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:01:11 (27388): 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\1\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\1\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
22:00:50 (27388): C:/Windows/system32/cmd.exe exited; CPU time 3421.984375
22:00:50 (27388): 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: 54792929 bytes.
Dumping objects ->
{3835257} normal block at 0x0000025F302D0F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000025F302D0B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000025F302D11E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000025F302D0A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000025F302D1020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000025F3037EF60, 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) : {3835169} normal block at 0x0000025F2E727970, 8 bytes long.
 Data: <   0_   > 00 00 0F 30 5F 02 00 00 
{3833951} normal block at 0x0000025F2E7278D0, 8 bytes long.
 Data: <&#208;&#234; ._   > D0 EA 80 2E 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000025F2E733D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025F2E716120, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000025F2E734DE0, 16 bytes long.
 Data: <&#248;]s._           > F8 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025F2E7352E0, 16 bytes long.
 Data: <&#208;]s._           > D0 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025F2E72C5D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000025F2E735290, 16 bytes long.
 Data: <&#168;]s._           > A8 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025F2E7357E0, 16 bytes long.
 Data: < ]s._           > 80 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025F2E735970, 16 bytes long.
 Data: <X]s._           > 58 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025F2E735790, 16 bytes long.
 Data: <0]s._           > 30 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025F2E72D980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000025F2E735240, 16 bytes long.
 Data: <&#184;`q._           > B8 60 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F2E72BF70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000025F2E735740, 16 bytes long.
 Data: < `q._           > 90 60 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F2E7358D0, 16 bytes long.
 Data: <h`q._           > 68 60 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025F2E735830, 16 bytes long.
 Data: <@`q._           > 40 60 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025F2E7356F0, 16 bytes long.
 Data: < `q._           > 18 60 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F2E7355B0, 16 bytes long.
 Data: <&#240;_q._           > F0 5F 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025F2E7354C0, 16 bytes long.
 Data: <&#200;_q._           > C8 5F 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F2E72C690, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000025F2E735010, 16 bytes long.
 Data: <&#160;_q._           > A0 5F 71 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025F2E715FA0, 320 bytes long.
 Data: < Ps._    &#198;r._   > 10 50 73 2E 5F 02 00 00 90 C6 72 2E 5F 02 00 00 
{271} normal block at 0x0000025F2E7356A0, 16 bytes long.
 Data: < ]s._           > 10 5D 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025F2E735600, 16 bytes long.
 Data: <&#232;\s._           > E8 5C 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F2E72BC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000025F2E7351F0, 16 bytes long.
 Data: <&#192;\s._           > C0 5C 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025F2E72BE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000025F2E734BB0, 16 bytes long.
 Data: < \s._           > 08 5C 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F2E734B60, 16 bytes long.
 Data: <&#224;[s._           > E0 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025F2E734FC0, 16 bytes long.
 Data: <&#184;[s._           > B8 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F2E7351A0, 16 bytes long.
 Data: < [s._           > 90 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F2E735560, 16 bytes long.
 Data: <h[s._           > 68 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025F2E734CA0, 16 bytes long.
 Data: <@[s._           > 40 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025F2E734B10, 16 bytes long.
 Data: <`&#218;r._           > 60 DA 72 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025F2E72DA60, 40 bytes long.
 Data: < Ks._   `&#239;70_   > 10 4B 73 2E 5F 02 00 00 60 EF 37 30 5F 02 00 00 
{257} normal block at 0x0000025F2E734E80, 16 bytes long.
 Data: < [s._           > 20 5B 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025F2E734E30, 16 bytes long.
 Data: <&#248;Zs._           > F8 5A 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025F2E72C450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000025F2E735920, 16 bytes long.
 Data: <&#208;Zs._           > D0 5A 73 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025F2E735AD0, 992 bytes long.
 Data: < Ys._   P&#196;r._   > 20 59 73 2E 5F 02 00 00 50 C4 72 2E 5F 02 00 00 
{89} normal block at 0x0000025F2E72BC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000025F2E727330, 16 bytes long.
 Data: <&#176;&#219;r._           > B0 DB 72 2E 5F 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000025F2E72DBB0, 40 bytes long.
 Data: <0sr._    &#188;r._   > 30 73 72 2E 5F 02 00 00 10 BC 72 2E 5F 02 00 00 
{66} normal block at 0x0000025F2E727420, 16 bytes long.
 Data: < &#234; "&#246;           > 80 EA 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F2E7274C0, 16 bytes long.
 Data: <@&#233; "&#246;           > 40 E9 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F2E727100, 16 bytes long.
 Data: <&#248;W "&#246;           > F8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025F2E727150, 16 bytes long.
 Data: <&#216;W "&#246;           > D8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025F2E727290, 16 bytes long.
 Data: <P  "&#246;           > 50 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025F2E727880, 16 bytes long.
 Data: <0  "&#246;           > 30 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025F2E727380, 16 bytes long.
 Data: <&#224;  "&#246;           > E0 02 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025F2E727830, 16 bytes long.
 Data: <   "&#246;           > 10 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025F2E726AC0, 16 bytes long.
 Data: <p  "&#246;           > 70 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025F2E7277E0, 16 bytes long.
 Data: < &#192;&#139;"&#246;           > 18 C0 8B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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