Task 38689118

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7593_0
Workunit 31630394
Created 28 Oct 2026, 18:30:08 UTC
Sent 28 Oct 2026, 18:30:14 UTC
Report deadline 2 Nov 2026, 18:30:14 UTC
Received 28 Oct 2026, 19:18:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 47 min 18 sec
CPU time 45 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.91 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:31:48 (8372): wrapper (7.9.26016): starting
14:31:48 (8372): 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
14:31:58 (8372): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:31:58 (8372): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
15:18:37 (8372): C:/Windows/system32/cmd.exe exited; CPU time 2702.484375
15:18:37 (8372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 40913813 bytes.
Dumping objects ->
{3835191} normal block at 0x000001C0464B6B80, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x000001C047FA5370, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x000001C047FA53D0, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x000001C047FA5130, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x000001C047FA4F50, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x000001C0464B6950, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000001C046487D70, 8 bytes long.
 Data: <  EF&#192;   > 00 00 45 46 C0 01 00 00 
{3833953} normal block at 0x000001C0464879B0, 8 bytes long.
 Data: < *&#254;G&#192;   > 10 2A FE 47 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C046491000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C04647B040, 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 0x000001C046492680, 16 bytes long.
 Data: < GIF&#192;           > 88 47 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C046492A90, 16 bytes long.
 Data: <`GIF&#192;           > 60 47 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C04648E020, 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 0x000001C046492A40, 16 bytes long.
 Data: <8GIF&#192;           > 38 47 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C046492D10, 16 bytes long.
 Data: < GIF&#192;           > 10 47 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C0464921D0, 16 bytes long.
 Data: <&#232;FIF&#192;           > E8 46 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C046492270, 16 bytes long.
 Data: <&#192;FIF&#192;           > C0 46 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C04648C700, 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 0x000001C0464924A0, 16 bytes long.
 Data: < &#210;HF&#192;           > 88 D2 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C04648DFC0, 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 0x000001C046492F40, 16 bytes long.
 Data: <`&#210;HF&#192;           > 60 D2 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C046492770, 16 bytes long.
 Data: <8&#210;HF&#192;           > 38 D2 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C046492450, 16 bytes long.
 Data: < &#210;HF&#192;           > 10 D2 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C046492B80, 16 bytes long.
 Data: <&#232;&#209;HF&#192;           > E8 D1 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C046492630, 16 bytes long.
 Data: <&#192;&#209;HF&#192;           > C0 D1 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C046492D60, 16 bytes long.
 Data: < &#209;HF&#192;           > 98 D1 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C04648D720, 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 0x000001C046492860, 16 bytes long.
 Data: <p&#209;HF&#192;           > 70 D1 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C04648D170, 320 bytes long.
 Data: <`(IF&#192;    &#215;HF&#192;   > 60 28 49 46 C0 01 00 00 20 D7 48 46 C0 01 00 00 
{272} normal block at 0x000001C046492310, 16 bytes long.
 Data: <&#160;FIF&#192;           > A0 46 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C046492EA0, 16 bytes long.
 Data: <xFIF&#192;           > 78 46 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C04648DA20, 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 0x000001C046492EF0, 16 bytes long.
 Data: <PFIF&#192;           > 50 46 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C04648E140, 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 0x000001C046492900, 16 bytes long.
 Data: < EIF&#192;           > 98 45 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C046492AE0, 16 bytes long.
 Data: <pEIF&#192;           > 70 45 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C046492E50, 16 bytes long.
 Data: <HEIF&#192;           > 48 45 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C0464929F0, 16 bytes long.
 Data: < EIF&#192;           > 20 45 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C046492E00, 16 bytes long.
 Data: <&#248;DIF&#192;           > F8 44 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C0464928B0, 16 bytes long.
 Data: <&#208;DIF&#192;           > D0 44 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C046492540, 16 bytes long.
 Data: <0&#194;HF&#192;           > 30 C2 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C04648C230, 40 bytes long.
 Data: <@%IF&#192;   PiKF&#192;   > 40 25 49 46 C0 01 00 00 50 69 4B 46 C0 01 00 00 
{258} normal block at 0x000001C046492FE0, 16 bytes long.
 Data: <&#176;DIF&#192;           > B0 44 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C0464925E0, 16 bytes long.
 Data: < DIF&#192;           > 88 44 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C04648E500, 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 0x000001C046492C70, 16 bytes long.
 Data: <`DIF&#192;           > 60 44 49 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C046494460, 992 bytes long.
 Data: <p,IF&#192;    &#229;HF&#192;   > 70 2C 49 46 C0 01 00 00 00 E5 48 46 C0 01 00 00 
{90} normal block at 0x000001C04648D660, 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 0x000001C046487460, 16 bytes long.
 Data: <p&#192;HF&#192;           > 70 C0 48 46 C0 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001C04648C070, 40 bytes long.
 Data: <`tHF&#192;   `&#214;HF&#192;   > 60 74 48 46 C0 01 00 00 60 D6 48 46 C0 01 00 00 
{67} normal block at 0x000001C0464877D0, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C046487410, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C046487370, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C046488130, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C0464876E0, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C046487730, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C046487690, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C0464882C0, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C046488220, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C046487960, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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