Task 38677625

Name test_432-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8011_1
Workunit 31619095
Created 26 Oct 2026, 14:54:51 UTC
Sent 26 Oct 2026, 14:54:57 UTC
Report deadline 31 Oct 2026, 14:54:57 UTC
Received 26 Oct 2026, 15:33:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 8 sec
CPU time 21 min 3 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 743.92 MB
Peak swap size 12.95 GB
Peak disk usage 4.17 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:11:16 (16908): wrapper (7.9.26016): starting
16:11:16 (16908): 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
16:11:17 (16908): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:11:17 (16908): 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
16:33:34 (16908): C:/Windows/system32/cmd.exe exited; CPU time 1263.750000
16:33:34 (16908): 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: 20292415 bytes.
Dumping objects ->
{3835250} normal block at 0x00000149EA210DF0, 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 0x00000149EA2107D0, 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 0x00000149EA210FB0, 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 0x00000149EA2113A0, 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 0x00000149EA210920, 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 0x00000149EA2DC0B0, 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 0x00000149E86B6860, 8 bytes long.
 Data: <  "&#234;I   > 00 00 22 EA 49 01 00 00 
{3833957} normal block at 0x00000149E86B6E00, 8 bytes long.
 Data: <&#208; &&#234;I   > D0 10 26 EA 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000149E86C15B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000149E86C24F0, 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 0x00000149E86C3180, 16 bytes long.
 Data: <&#216;<l&#232;I           > D8 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000149E86C2AF0, 16 bytes long.
 Data: <&#176;<l&#232;I           > B0 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149E86BB6E0, 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 0x00000149E86C2AA0, 16 bytes long.
 Data: < <l&#232;I           > 88 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000149E86C2A50, 16 bytes long.
 Data: <`<l&#232;I           > 60 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000149E86C2A00, 16 bytes long.
 Data: <8<l&#232;I           > 38 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000149E86C3270, 16 bytes long.
 Data: < <l&#232;I           > 10 3C 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000149E86BD4C0, 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 0x00000149E86C2D20, 16 bytes long.
 Data: < $l&#232;I           > 88 24 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149E86BBC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000149E86C2CD0, 16 bytes long.
 Data: <`$l&#232;I           > 60 24 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149E86C2D70, 16 bytes long.
 Data: <8$l&#232;I           > 38 24 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000149E86C2690, 16 bytes long.
 Data: < $l&#232;I           > 10 24 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000149E86C2960, 16 bytes long.
 Data: <&#232;#l&#232;I           > E8 23 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149E86C3360, 16 bytes long.
 Data: <&#192;#l&#232;I           > C0 23 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000149E86C3130, 16 bytes long.
 Data: < #l&#232;I           > 98 23 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149E86BBC20, 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 0x00000149E86C2B90, 16 bytes long.
 Data: <p#l&#232;I           > 70 23 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149E86C2370, 320 bytes long.
 Data: < +l&#232;I    &#188;k&#232;I   > 90 2B 6C E8 49 01 00 00 20 BC 6B E8 49 01 00 00 
{274} normal block at 0x00000149E86C2640, 16 bytes long.
 Data: <&#240;;l&#232;I           > F0 3B 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000149E86C30E0, 16 bytes long.
 Data: <&#200;;l&#232;I           > C8 3B 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149E86BC580, 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 0x00000149E86C2DC0, 16 bytes long.
 Data: <&#160;;l&#232;I           > A0 3B 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149E86BBB00, 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 0x00000149E86C3540, 16 bytes long.
 Data: <&#232;:l&#232;I           > E8 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000149E86C2E10, 16 bytes long.
 Data: <&#192;:l&#232;I           > C0 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000149E86C3090, 16 bytes long.
 Data: < :l&#232;I           > 98 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000149E86C2BE0, 16 bytes long.
 Data: <p:l&#232;I           > 70 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000149E86C34F0, 16 bytes long.
 Data: <H:l&#232;I           > 48 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149E86C2F50, 16 bytes long.
 Data: < :l&#232;I           > 20 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149E86C28C0, 16 bytes long.
 Data: <&#224;&#211;k&#232;I           > E0 D3 6B E8 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149E86BD3E0, 40 bytes long.
 Data: <&#192;(l&#232;I   &#176;&#192;-&#234;I   > C0 28 6C E8 49 01 00 00 B0 C0 2D EA 49 01 00 00 
{260} normal block at 0x00000149E86C2820, 16 bytes long.
 Data: < :l&#232;I           > 00 3A 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000149E86C2780, 16 bytes long.
 Data: <&#216;9l&#232;I           > D8 39 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149E86BB980, 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 0x00000149E86C3400, 16 bytes long.
 Data: <&#176;9l&#232;I           > B0 39 6C E8 49 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000149E86C39B0, 992 bytes long.
 Data: < 4l&#232;I    &#185;k&#232;I   > 00 34 6C E8 49 01 00 00 80 B9 6B E8 49 01 00 00 
{92} normal block at 0x00000149E86BB920, 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 0x00000149E86B7170, 16 bytes long.
 Data: <P&#212;k&#232;I           > 50 D4 6B E8 49 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000149E86BD450, 40 bytes long.
 Data: <pqk&#232;I    &#185;k&#232;I   > 70 71 6B E8 49 01 00 00 20 B9 6B E8 49 01 00 00 
{69} normal block at 0x00000149E86B7670, 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 0x00000149E86B7620, 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 0x00000149E86B6DB0, 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 0x00000149E86B6950, 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 0x00000149E86B7120, 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 0x00000149E86B70D0, 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 0x00000149E86B72B0, 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 0x00000149E86B6E50, 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 0x00000149E86B75D0, 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 0x00000149E86B7210, 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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