Task 38698135

Name test_264-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0312_0
Workunit 31638667
Created 2 Nov 2026, 4:11:29 UTC
Sent 2 Nov 2026, 4:11:31 UTC
Report deadline 7 Nov 2026, 4:11:31 UTC
Received 3 Nov 2026, 2:26:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637745
Run time 27 min 12 sec
CPU time 12 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.21 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:59:10 (384): wrapper (7.9.26016): starting
17:59:10 (384): 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
17:59:11 (384): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:59:11 (384): 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\0\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\0\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
18:25:48 (384): C:/Windows/system32/cmd.exe exited; CPU time 725.703125
18:25:48 (384): 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: 28693179 bytes.
Dumping objects ->
{3835258} normal block at 0x0000014D208A6550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000014D208A6F60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000014D208A6CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000014D208A6DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000014D208A6E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000014D225152D0, 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) : {3835170} normal block at 0x0000014D2087B200, 8 bytes long.
 Data: <  $"M   > 00 00 24 22 4D 01 00 00 
{3833953} normal block at 0x0000014D2087A9E0, 8 bytes long.
 Data: <&#192;&#194;&#134; M   > C0 C2 86 20 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000014D2086EC90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014D2086BEC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000014D20883750, 16 bytes long.
 Data: < ?  M           > 98 3F 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014D20883480, 16 bytes long.
 Data: <p?  M           > 70 3F 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014D2087CA60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000014D20883430, 16 bytes long.
 Data: <H?  M           > 48 3F 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014D20882FD0, 16 bytes long.
 Data: < ?  M           > 20 3F 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014D20883390, 16 bytes long.
 Data: <&#248;>  M           > F8 3E 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014D208837A0, 16 bytes long.
 Data: <&#208;>  M           > D0 3E 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014D2087EA20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000014D20882CB0, 16 bytes long.
 Data: < &#226;&#134; M           > 88 E2 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014D2087D780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000014D20882E40, 16 bytes long.
 Data: <`&#226;&#134; M           > 60 E2 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014D20882DF0, 16 bytes long.
 Data: <8&#226;&#134; M           > 38 E2 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014D20883340, 16 bytes long.
 Data: < &#226;&#134; M           > 10 E2 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014D208831B0, 16 bytes long.
 Data: <&#232;&#225;&#134; M           > E8 E1 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014D20882D50, 16 bytes long.
 Data: <&#192;&#225;&#134; M           > C0 E1 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014D20883520, 16 bytes long.
 Data: < &#225;&#134; M           > 98 E1 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014D2087D720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000014D208832F0, 16 bytes long.
 Data: <p&#225;&#134; M           > 70 E1 86 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014D2086E170, 320 bytes long.
 Data: <&#240;2  M    &#215;&#135; M   > F0 32 88 20 4D 01 00 00 20 D7 87 20 4D 01 00 00 
{272} normal block at 0x0000014D20882EE0, 16 bytes long.
 Data: <&#176;>  M           > B0 3E 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014D208838E0, 16 bytes long.
 Data: < >  M           > 88 3E 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014D2087D0C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000014D20883160, 16 bytes long.
 Data: <`>  M           > 60 3E 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014D2087C8E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000014D208833E0, 16 bytes long.
 Data: <&#168;=  M           > A8 3D 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014D20883BB0, 16 bytes long.
 Data: < =  M           > 80 3D 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014D208839D0, 16 bytes long.
 Data: <X=  M           > 58 3D 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014D20882E90, 16 bytes long.
 Data: <0=  M           > 30 3D 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014D208832A0, 16 bytes long.
 Data: < =  M           > 08 3D 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014D20883200, 16 bytes long.
 Data: <&#224;<  M           > E0 3C 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014D20883020, 16 bytes long.
 Data: <0&#230;&#135; M           > 30 E6 87 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014D2087E630, 40 bytes long.
 Data: < 0  M   &#208;RQ"M   > 20 30 88 20 4D 01 00 00 D0 52 51 22 4D 01 00 00 
{258} normal block at 0x0000014D208830C0, 16 bytes long.
 Data: <&#192;<  M           > C0 3C 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014D20883250, 16 bytes long.
 Data: < <  M           > 98 3C 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014D2087D660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000014D208836B0, 16 bytes long.
 Data: <p<  M           > 70 3C 88 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014D20883C70, 992 bytes long.
 Data: <&#176;6  M   `&#214;&#135; M   > B0 36 88 20 4D 01 00 00 60 D6 87 20 4D 01 00 00 
{90} normal block at 0x0000014D2087C9A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000014D2087AA30, 16 bytes long.
 Data: <&#224;&#228;&#135; M           > E0 E4 87 20 4D 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000014D2087E4E0, 40 bytes long.
 Data: <0&#170;&#135; M   &#160;&#201;&#135; M   > 30 AA 87 20 4D 01 00 00 A0 C9 87 20 4D 01 00 00 
{67} normal block at 0x0000014D2087B2F0, 16 bytes long.
 Data: < &#234;5&#162;&#247;           > 80 EA 35 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014D2087B1B0, 16 bytes long.
 Data: <@&#233;5&#162;&#247;           > 40 E9 35 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014D2087B160, 16 bytes long.
 Data: <&#248;W2&#162;&#247;           > F8 57 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014D2087AFD0, 16 bytes long.
 Data: <&#216;W2&#162;&#247;           > D8 57 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014D2087B430, 16 bytes long.
 Data: <P 2&#162;&#247;           > 50 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014D2087AF80, 16 bytes long.
 Data: <0 2&#162;&#247;           > 30 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014D2087A7B0, 16 bytes long.
 Data: <&#224; 2&#162;&#247;           > E0 02 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014D2087B3E0, 16 bytes long.
 Data: <  2&#162;&#247;           > 10 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014D2087B070, 16 bytes long.
 Data: <p 2&#162;&#247;           > 70 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014D2087AA80, 16 bytes long.
 Data: < &#192;0&#162;&#247;           > 18 C0 30 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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