Task 38676104

Name test_32-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7887_0
Workunit 31618038
Created 26 Oct 2026, 10:15:19 UTC
Sent 26 Oct 2026, 10:15:22 UTC
Report deadline 31 Oct 2026, 10:15:22 UTC
Received 26 Oct 2026, 10:53:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 52 sec
CPU time 20 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.02 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:29:49 (24316): wrapper (7.9.26016): starting
11:29:49 (24316): 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
11:29:50 (24316): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:29:50 (24316): 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\2\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\2\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
11:52:52 (24316): C:/Windows/system32/cmd.exe exited; CPU time 1254.343750
11:52:52 (24316): 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: 20714415 bytes.
Dumping objects ->
{3835250} normal block at 0x000001DE619861E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001DE61986100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001DE619863A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001DE61985680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001DE61986090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001DE63693DD0, 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) : {3835162} normal block at 0x000001DE61957190, 8 bytes long.
 Data: <  Ec&#222;   > 00 00 45 63 DE 01 00 00 
{3833957} normal block at 0x000001DE61957DC0, 8 bytes long.
 Data: <p+rc&#222;   > 70 2B 72 63 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DE61960CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DE61961BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001DE619627E0, 16 bytes long.
 Data: <&#216;3&#150;a&#222;           > D8 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DE619622E0, 16 bytes long.
 Data: <&#176;3&#150;a&#222;           > B0 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DE6195C2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001DE619621F0, 16 bytes long.
 Data: < 3&#150;a&#222;           > 88 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DE61962B00, 16 bytes long.
 Data: <`3&#150;a&#222;           > 60 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE61961ED0, 16 bytes long.
 Data: <83&#150;a&#222;           > 38 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DE61962510, 16 bytes long.
 Data: < 3&#150;a&#222;           > 10 33 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DE6195DBD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001DE61962790, 16 bytes long.
 Data: <  &#150;a&#222;           > 88 1B 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DE6195CB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001DE61962740, 16 bytes long.
 Data: <` &#150;a&#222;           > 60 1B 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DE61961E80, 16 bytes long.
 Data: <8 &#150;a&#222;           > 38 1B 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE61962970, 16 bytes long.
 Data: <  &#150;a&#222;           > 10 1B 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DE61961DE0, 16 bytes long.
 Data: <&#232; &#150;a&#222;           > E8 1A 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DE619623D0, 16 bytes long.
 Data: <&#192; &#150;a&#222;           > C0 1A 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DE619620B0, 16 bytes long.
 Data: <  &#150;a&#222;           > 98 1A 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DE6195C330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001DE61962BA0, 16 bytes long.
 Data: <p &#150;a&#222;           > 70 1A 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DE61961A70, 320 bytes long.
 Data: <&#160;+&#150;a&#222;   0&#195;&#149;a&#222;   > A0 2B 96 61 DE 01 00 00 30 C3 95 61 DE 01 00 00 
{274} normal block at 0x000001DE61962470, 16 bytes long.
 Data: <&#240;2&#150;a&#222;           > F0 32 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DE61961D90, 16 bytes long.
 Data: <&#200;2&#150;a&#222;           > C8 32 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE6195C1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001DE61962880, 16 bytes long.
 Data: <&#160;2&#150;a&#222;           > A0 32 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DE6195BFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001DE619626F0, 16 bytes long.
 Data: <&#232;1&#150;a&#222;           > E8 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DE619628D0, 16 bytes long.
 Data: <&#192;1&#150;a&#222;           > C0 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DE61961D40, 16 bytes long.
 Data: < 1&#150;a&#222;           > 98 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE619624C0, 16 bytes long.
 Data: <p1&#150;a&#222;           > 70 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DE61961E30, 16 bytes long.
 Data: <H1&#150;a&#222;           > 48 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DE619626A0, 16 bytes long.
 Data: < 1&#150;a&#222;           > 20 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DE61962150, 16 bytes long.
 Data: <`&#219;&#149;a&#222;           > 60 DB 95 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DE6195DB60, 40 bytes long.
 Data: <P!&#150;a&#222;   &#208;=ic&#222;   > 50 21 96 61 DE 01 00 00 D0 3D 69 63 DE 01 00 00 
{260} normal block at 0x000001DE61962AB0, 16 bytes long.
 Data: < 1&#150;a&#222;           > 00 31 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DE61962100, 16 bytes long.
 Data: <&#216;0&#150;a&#222;           > D8 30 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DE6195C690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001DE61962420, 16 bytes long.
 Data: <&#176;0&#150;a&#222;           > B0 30 96 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DE619630B0, 992 bytes long.
 Data: < $&#150;a&#222;    &#198;&#149;a&#222;   > 20 24 96 61 DE 01 00 00 90 C6 95 61 DE 01 00 00 
{92} normal block at 0x000001DE6195BEB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001DE61957960, 16 bytes long.
 Data: < &#218;&#149;a&#222;           > 80 DA 95 61 DE 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DE6195DA80, 40 bytes long.
 Data: <`y&#149;a&#222;   &#176;&#190;&#149;a&#222;   > 60 79 95 61 DE 01 00 00 B0 BE 95 61 DE 01 00 00 
{69} normal block at 0x000001DE61957A50, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DE61957050, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DE61957F50, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DE61957A00, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DE61957140, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DE61957C30, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DE61957BE0, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DE61957E60, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DE61957780, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DE61957D20, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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