Task 38681424

Name test_343-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3436_0
Workunit 31623089
Created 27 Oct 2026, 3:55:39 UTC
Sent 27 Oct 2026, 3:55:44 UTC
Report deadline 1 Nov 2026, 3:55:44 UTC
Received 27 Oct 2026, 4:32:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 34 min 34 sec
CPU time 32 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.35 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:59:21 (19856): wrapper (7.9.26016): starting
22:59:21 (19856): 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
22:59:22 (19856): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:59:22 (19856): 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
23:32:25 (19856): C:/Windows/system32/cmd.exe exited; CPU time 1958.265625
23:32:25 (19856): 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: 33475729 bytes.
Dumping objects ->
{3835441} normal block at 0x000002431A236A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x000002431A236AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x000002431A236970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x000002431A2367B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x000002431A236890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x000002431C0BA250, 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) : {3835353} normal block at 0x000002431A22E9B0, 8 bytes long.
 Data: <  ~ C   > 00 00 7E 1A 43 02 00 00 
{3833965} normal block at 0x000002431A22F900, 8 bytes long.
 Data: < Q  C   > 00 51 11 1C 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002431A2321A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002431A227DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002431A236F20, 16 bytes long.
 Data: <x # C           > 78 80 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002431A236D90, 16 bytes long.
 Data: <P # C           > 50 80 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002431A230DD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002431A237510, 16 bytes long.
 Data: <( # C           > 28 80 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002431A237420, 16 bytes long.
 Data: <  # C           > 00 80 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002431A2374C0, 16 bytes long.
 Data: <&#216; # C           > D8 7F 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002431A2370B0, 16 bytes long.
 Data: <&#176; # C           > B0 7F 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002431A236B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002431A2378D0, 16 bytes long.
 Data: <X&#168;" C           > 58 A8 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002431A231BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002431A236DE0, 16 bytes long.
 Data: <0&#168;" C           > 30 A8 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002431A237600, 16 bytes long.
 Data: < &#168;" C           > 08 A8 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002431A237290, 16 bytes long.
 Data: <&#224;&#167;" C           > E0 A7 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002431A236ED0, 16 bytes long.
 Data: <&#184;&#167;" C           > B8 A7 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002431A2375B0, 16 bytes long.
 Data: < &#167;" C           > 90 A7 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002431A237470, 16 bytes long.
 Data: <h&#167;" C           > 68 A7 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002431A231AF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002431A237BA0, 16 bytes long.
 Data: <@&#167;" C           > 40 A7 22 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002431A22A740, 320 bytes long.
 Data: <&#160;{# C   &#240; # C   > A0 7B 23 1A 43 02 00 00 F0 1A 23 1A 43 02 00 00 
{278} normal block at 0x000002431A236F70, 16 bytes long.
 Data: <  # C           > 90 7F 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002431A237B00, 16 bytes long.
 Data: <h # C           > 68 7F 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002431A2310D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002431A237CE0, 16 bytes long.
 Data: <@ # C           > 40 7F 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002431A231850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002431A237740, 16 bytes long.
 Data: < ~# C           > 88 7E 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002431A237AB0, 16 bytes long.
 Data: <`~# C           > 60 7E 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002431A236E30, 16 bytes long.
 Data: <8~# C           > 38 7E 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002431A237100, 16 bytes long.
 Data: < ~# C           > 10 7E 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002431A2376F0, 16 bytes long.
 Data: <&#232;}# C           > E8 7D 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002431A237920, 16 bytes long.
 Data: <&#192;}# C           > C0 7D 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002431A237150, 16 bytes long.
 Data: < i# C           > 00 69 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002431A236900, 40 bytes long.
 Data: <Pq# C   P&#162;  C   > 50 71 23 1A 43 02 00 00 50 A2 0B 1C 43 02 00 00 
{264} normal block at 0x000002431A237010, 16 bytes long.
 Data: <&#160;}# C           > A0 7D 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002431A237C90, 16 bytes long.
 Data: <x}# C           > 78 7D 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002431A231CD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002431A236FC0, 16 bytes long.
 Data: <P}# C           > 50 7D 23 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002431A237D50, 992 bytes long.
 Data: <&#192;o# C   &#208; # C   > C0 6F 23 1A 43 02 00 00 D0 1C 23 1A 43 02 00 00 
{96} normal block at 0x000002431A231550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002431A22F4F0, 16 bytes long.
 Data: <&#224;&#239;! C           > E0 EF 21 1A 43 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002431A21EFE0, 40 bytes long.
 Data: <&#240;&#244;" C   P # C   > F0 F4 22 1A 43 02 00 00 50 15 23 1A 43 02 00 00 
{73} normal block at 0x000002431A22F360, 16 bytes long.
 Data: < &#234;%K&#246;           > 80 EA 25 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002431A22F400, 16 bytes long.
 Data: <@&#233;%K&#246;           > 40 E9 25 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002431A22F8B0, 16 bytes long.
 Data: <&#248;W"K&#246;           > F8 57 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002431A22F2C0, 16 bytes long.
 Data: <&#216;W"K&#246;           > D8 57 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002431A22EDC0, 16 bytes long.
 Data: <P "K&#246;           > 50 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002431A22F130, 16 bytes long.
 Data: <0 "K&#246;           > 30 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002431A22F680, 16 bytes long.
 Data: <&#224; "K&#246;           > E0 02 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002431A22F810, 16 bytes long.
 Data: <  "K&#246;           > 10 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002431A22ED70, 16 bytes long.
 Data: <p "K&#246;           > 70 04 22 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002431A22F860, 16 bytes long.
 Data: < &#192; K&#246;           > 18 C0 20 4B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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