Task 38689493

Name test_773-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4634_0
Workunit 31630743
Created 28 Oct 2026, 21:20:50 UTC
Sent 28 Oct 2026, 21:20:54 UTC
Report deadline 2 Nov 2026, 21:20:54 UTC
Received 28 Oct 2026, 22:46:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559474
Run time 34 min 42 sec
CPU time 30 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.04 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:12:52 (37292): wrapper (7.9.26016): starting
15:12:52 (37292): 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
15:12:54 (37292): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:12:54 (37292): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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
15:45:35 (37292): C:/Windows/system32/cmd.exe exited; CPU time 1808.968750
15:45:35 (37292): 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: 39687113 bytes.
Dumping objects ->
{3835207} normal block at 0x00000248BEDB0920, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000248BEDB1250, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000248BEDB1170, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x00000248BEDB15D0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000248BEDB16B0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x00000248BEEA5900, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x00000248BD3675E0, 8 bytes long.
 Data: <  &#191;&#190;H   > 00 00 BF BE 48 02 00 00 
{3833955} normal block at 0x00000248BD367D60, 8 bytes long.
 Data: < #&#240;&#190;H   > 90 23 F0 BE 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000248BD36D4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000248BD35AE60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000248BD372230, 16 bytes long.
 Data: < G7&#189;H           > 98 47 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000248BD372E60, 16 bytes long.
 Data: <pG7&#189;H           > 70 47 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000248BD36E210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000248BD372190, 16 bytes long.
 Data: <HG7&#189;H           > 48 47 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000248BD372460, 16 bytes long.
 Data: < G7&#189;H           > 20 47 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000248BD372C80, 16 bytes long.
 Data: <&#248;F7&#189;H           > F8 46 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000248BD372BE0, 16 bytes long.
 Data: <&#208;F7&#189;H           > D0 46 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000248BD36C360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000248BD372320, 16 bytes long.
 Data: <&#248;&#209;6&#189;H           > F8 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000248BD36D790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000248BD372B90, 16 bytes long.
 Data: <&#208;&#209;6&#189;H           > D0 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248BD372A50, 16 bytes long.
 Data: <&#168;&#209;6&#189;H           > A8 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000248BD3728C0, 16 bytes long.
 Data: < &#209;6&#189;H           > 80 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000248BD3724B0, 16 bytes long.
 Data: <X&#209;6&#189;H           > 58 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000248BD372640, 16 bytes long.
 Data: <0&#209;6&#189;H           > 30 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000248BD372EB0, 16 bytes long.
 Data: < &#209;6&#189;H           > 08 D1 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248BD36E030, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000248BD3725F0, 16 bytes long.
 Data: <&#224;&#208;6&#189;H           > E0 D0 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000248BD36D0E0, 320 bytes long.
 Data: <&#240;%7&#189;H   0&#224;6&#189;H   > F0 25 37 BD 48 02 00 00 30 E0 36 BD 48 02 00 00 
{273} normal block at 0x00000248BD3727D0, 16 bytes long.
 Data: <&#176;F7&#189;H           > B0 46 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000248BD372820, 16 bytes long.
 Data: < F7&#189;H           > 88 46 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248BD36E1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000248BD372B40, 16 bytes long.
 Data: <`F7&#189;H           > 60 46 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248BD36DAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000248BD372780, 16 bytes long.
 Data: <&#168;E7&#189;H           > A8 45 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248BD372AF0, 16 bytes long.
 Data: < E7&#189;H           > 80 45 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000248BD372730, 16 bytes long.
 Data: <XE7&#189;H           > 58 45 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248BD3720A0, 16 bytes long.
 Data: <0E7&#189;H           > 30 45 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000248BD372870, 16 bytes long.
 Data: < E7&#189;H           > 08 45 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000248BD372D70, 16 bytes long.
 Data: <&#224;D7&#189;H           > E0 44 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000248BD3729B0, 16 bytes long.
 Data: <P&#192;6&#189;H           > 50 C0 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000248BD36C050, 40 bytes long.
 Data: <&#176;)7&#189;H    Y&#234;&#190;H   > B0 29 37 BD 48 02 00 00 00 59 EA BE 48 02 00 00 
{259} normal block at 0x00000248BD372500, 16 bytes long.
 Data: <&#192;D7&#189;H           > C0 44 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000248BD372C30, 16 bytes long.
 Data: < D7&#189;H           > 98 44 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000248BD36E510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000248BD3721E0, 16 bytes long.
 Data: <pD7&#189;H           > 70 44 37 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000248BD374470, 992 bytes long.
 Data: <&#224;!7&#189;H    &#229;6&#189;H   > E0 21 37 BD 48 02 00 00 10 E5 36 BD 48 02 00 00 
{91} normal block at 0x00000248BD36E4B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000248BD367540, 16 bytes long.
 Data: < &#194;6&#189;H           > 80 C2 36 BD 48 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000248BD36C280, 40 bytes long.
 Data: <@u6&#189;H   &#176;&#228;6&#189;H   > 40 75 36 BD 48 02 00 00 B0 E4 36 BD 48 02 00 00 
{68} normal block at 0x00000248BD367310, 16 bytes long.
 Data: < &#234;&#234;C&#247;           > 80 EA EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248BD3674F0, 16 bytes long.
 Data: <@&#233;&#234;C&#247;           > 40 E9 EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248BD367400, 16 bytes long.
 Data: <&#248;W&#231;C&#247;           > F8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248BD367EA0, 16 bytes long.
 Data: <&#216;W&#231;C&#247;           > D8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248BD367810, 16 bytes long.
 Data: <P &#231;C&#247;           > 50 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000248BD368120, 16 bytes long.
 Data: <0 &#231;C&#247;           > 30 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000248BD367D10, 16 bytes long.
 Data: <&#224; &#231;C&#247;           > E0 02 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000248BD367A40, 16 bytes long.
 Data: <  &#231;C&#247;           > 10 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000248BD3677C0, 16 bytes long.
 Data: <p &#231;C&#247;           > 70 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000248BD367C70, 16 bytes long.
 Data: < &#192;&#229;C&#247;           > 18 C0 E5 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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