Task 38698324

Name test_611-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8691_0
Workunit 31638847
Created 2 Nov 2026, 9:49:27 UTC
Sent 2 Nov 2026, 9:49:28 UTC
Report deadline 7 Nov 2026, 9:49:28 UTC
Received 2 Nov 2026, 12:38:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 3 min 57 sec
CPU time 56 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.77 MB
Peak swap size 2.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:35:24 (7336): wrapper (7.9.26016): starting
12:35:24 (7336): 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
12:35:28 (7336): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:35:28 (7336): 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
13:36:44 (7336): C:/Windows/system32/cmd.exe exited; CPU time 3400.453125
13:36:44 (7336): 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: 50513349 bytes.
Dumping objects ->
{3835416} normal block at 0x0000019230EA0F10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000019230EA1140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000019230EA10D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x0000019230EA1060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000019230EA1530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x000001923100BA40, 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) : {3835328} normal block at 0x000001922F436FF0, 8 bytes long.
 Data: <  A/&#146;   > 00 00 41 2F 92 01 00 00 
{3833949} normal block at 0x000001922F436C30, 8 bytes long.
 Data: <@&#166;B/&#146;   > 40 A6 42 2F 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001922F441160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001922F425C70, 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 0x000001922F442920, 16 bytes long.
 Data: < 7D/&#146;           > 98 37 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001922F442DD0, 16 bytes long.
 Data: <p7D/&#146;           > 70 37 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001922F43D490, 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 0x000001922F4428D0, 16 bytes long.
 Data: <H7D/&#146;           > 48 37 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001922F442880, 16 bytes long.
 Data: < 7D/&#146;           > 20 37 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001922F442740, 16 bytes long.
 Data: <&#248;6D/&#146;           > F8 36 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001922F442600, 16 bytes long.
 Data: <&#208;6D/&#146;           > D0 36 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001922F43B360, 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 0x000001922F442D80, 16 bytes long.
 Data: < \B/&#146;           > 08 5C 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001922F43CEF0, 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 0x000001922F4426F0, 16 bytes long.
 Data: <&#224;[B/&#146;           > E0 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001922F442B50, 16 bytes long.
 Data: <&#184;[B/&#146;           > B8 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001922F442510, 16 bytes long.
 Data: < [B/&#146;           > 90 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001922F442830, 16 bytes long.
 Data: <h[B/&#146;           > 68 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001922F442470, 16 bytes long.
 Data: <@[B/&#146;           > 40 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001922F442F60, 16 bytes long.
 Data: < [B/&#146;           > 18 5B 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001922F43C710, 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 0x000001922F442B00, 16 bytes long.
 Data: <&#240;ZB/&#146;           > F0 5A 42 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001922F425AF0, 320 bytes long.
 Data: < +D/&#146;    &#199;C/&#146;   > 00 2B 44 2F 92 01 00 00 10 C7 43 2F 92 01 00 00 
{270} normal block at 0x000001922F442420, 16 bytes long.
 Data: <&#176;6D/&#146;           > B0 36 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001922F442D30, 16 bytes long.
 Data: < 6D/&#146;           > 88 36 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001922F43D1F0, 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 0x000001922F442330, 16 bytes long.
 Data: <`6D/&#146;           > 60 36 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001922F43D430, 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 0x000001922F442E20, 16 bytes long.
 Data: <&#168;5D/&#146;           > A8 35 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001922F442A10, 16 bytes long.
 Data: < 5D/&#146;           > 80 35 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001922F4422E0, 16 bytes long.
 Data: <X5D/&#146;           > 58 35 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001922F442240, 16 bytes long.
 Data: <05D/&#146;           > 30 35 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001922F4421F0, 16 bytes long.
 Data: < 5D/&#146;           > 08 35 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001922F442150, 16 bytes long.
 Data: <&#224;4D/&#146;           > E0 34 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001922F4426A0, 16 bytes long.
 Data: <0&#177;C/&#146;           > 30 B1 43 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001922F43B130, 40 bytes long.
 Data: <&#160;&D/&#146;   @&#186; 1&#146;   > A0 26 44 2F 92 01 00 00 40 BA 00 31 92 01 00 00 
{256} normal block at 0x000001922F442C40, 16 bytes long.
 Data: <&#192;4D/&#146;           > C0 34 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001922F442BA0, 16 bytes long.
 Data: < 4D/&#146;           > 98 34 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001922F43C650, 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 0x000001922F442650, 16 bytes long.
 Data: <p4D/&#146;           > 70 34 44 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001922F443470, 992 bytes long.
 Data: <P&D/&#146;   P&#198;C/&#146;   > 50 26 44 2F 92 01 00 00 50 C6 43 2F 92 01 00 00 
{88} normal block at 0x000001922F43CC50, 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 0x000001922F436550, 16 bytes long.
 Data: <p&#182;C/&#146;           > 70 B6 43 2F 92 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001922F43B670, 40 bytes long.
 Data: <PeC/&#146;   P&#204;C/&#146;   > 50 65 43 2F 92 01 00 00 50 CC 43 2F 92 01 00 00 
{65} normal block at 0x000001922F437130, 16 bytes long.
 Data: < &#234;&#241;T&#246;           > 80 EA F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001922F436500, 16 bytes long.
 Data: <@&#233;&#241;T&#246;           > 40 E9 F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001922F436820, 16 bytes long.
 Data: <&#248;W&#238;T&#246;           > F8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001922F437180, 16 bytes long.
 Data: <&#216;W&#238;T&#246;           > D8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001922F436F50, 16 bytes long.
 Data: <P &#238;T&#246;           > 50 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001922F436DC0, 16 bytes long.
 Data: <0 &#238;T&#246;           > 30 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001922F4371D0, 16 bytes long.
 Data: <&#224; &#238;T&#246;           > E0 02 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001922F4372C0, 16 bytes long.
 Data: <  &#238;T&#246;           > 10 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001922F436BE0, 16 bytes long.
 Data: <p &#238;T&#246;           > 70 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001922F4366E0, 16 bytes long.
 Data: < &#192;&#236;T&#246;           > 18 C0 EC 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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