Task 38662527

Name test_1900-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7463_1
Workunit 31605727
Created 24 Oct 2026, 19:34:24 UTC
Sent 24 Oct 2026, 19:34:25 UTC
Report deadline 29 Oct 2026, 19:34:25 UTC
Received 24 Oct 2026, 21:08:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 43 min 17 sec
CPU time 43 min 17 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 648.36 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:22:40 (14548): wrapper (7.9.26016): starting
16:22:40 (14548): 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
16:22:41 (14548): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:22:41 (14548): 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
17:07:58 (14548): C:/Windows/system32/cmd.exe exited; CPU time 2597.968750
17:07:58 (14548): 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: 35937437 bytes.
Dumping objects ->
{3835191} normal block at 0x00000127EE0467F0, 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 0x00000127EFC24E70, 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 0x00000127EFC249F0, 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 0x00000127EFC244B0, 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 0x00000127EFC25290, 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 0x00000127EE046010, 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 0x00000127EE016CA0, 8 bytes long.
 Data: <  &#254;&#237;'   > 00 00 FE ED 27 01 00 00 
{3833953} normal block at 0x00000127EE0166B0, 8 bytes long.
 Data: < v&#190;&#239;'   > 10 76 BE EF 27 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000127EE020110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000127EE01C500, 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 0x00000127EE021BA0, 16 bytes long.
 Data: < 8 &#238;'           > 98 38 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000127EE021560, 16 bytes long.
 Data: <p8 &#238;'           > 70 38 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000127EE01D7B0, 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 0x00000127EE021790, 16 bytes long.
 Data: <H8 &#238;'           > 48 38 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000127EE021A60, 16 bytes long.
 Data: < 8 &#238;'           > 20 38 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000127EE021EC0, 16 bytes long.
 Data: <&#248;7 &#238;'           > F8 37 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000127EE021E20, 16 bytes long.
 Data: <&#208;7 &#238;'           > D0 37 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000127EE01B640, 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 0x00000127EE0215B0, 16 bytes long.
 Data: < &#176; &#238;'           > 18 B0 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000127EE01D5D0, 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 0x00000127EE021D80, 16 bytes long.
 Data: <&#240;&#175; &#238;'           > F0 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000127EE021470, 16 bytes long.
 Data: <&#200;&#175; &#238;'           > C8 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000127EE021A10, 16 bytes long.
 Data: <&#160;&#175; &#238;'           > A0 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000127EE021D30, 16 bytes long.
 Data: <x&#175; &#238;'           > 78 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000127EE021330, 16 bytes long.
 Data: <P&#175; &#238;'           > 50 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000127EE022050, 16 bytes long.
 Data: <(&#175; &#238;'           > 28 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000127EE01D6F0, 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 0x00000127EE021B50, 16 bytes long.
 Data: < &#175; &#238;'           > 00 AF 00 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000127EE00AF00, 320 bytes long.
 Data: <P  &#238;'   &#240;&#214; &#238;'   > 50 1B 02 EE 27 01 00 00 F0 D6 01 EE 27 01 00 00 
{272} normal block at 0x00000127EE0219C0, 16 bytes long.
 Data: <&#176;7 &#238;'           > B0 37 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000127EE021DD0, 16 bytes long.
 Data: < 7 &#238;'           > 88 37 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000127EE01D450, 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 0x00000127EE021740, 16 bytes long.
 Data: <`7 &#238;'           > 60 37 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000127EE01CFD0, 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 0x00000127EE022000, 16 bytes long.
 Data: <&#168;6 &#238;'           > A8 36 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000127EE0212E0, 16 bytes long.
 Data: < 6 &#238;'           > 80 36 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000127EE0218D0, 16 bytes long.
 Data: <X6 &#238;'           > 58 36 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000127EE021B00, 16 bytes long.
 Data: <06 &#238;'           > 30 36 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000127EE021970, 16 bytes long.
 Data: < 6 &#238;'           > 08 36 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000127EE021920, 16 bytes long.
 Data: <&#224;5 &#238;'           > E0 35 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000127EE021290, 16 bytes long.
 Data: <&#208;&#181; &#238;'           > D0 B5 01 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000127EE01B5D0, 40 bytes long.
 Data: <   &#238;'    ` &#238;'   > 90 12 02 EE 27 01 00 00 10 60 04 EE 27 01 00 00 
{258} normal block at 0x00000127EE021420, 16 bytes long.
 Data: <&#192;5 &#238;'           > C0 35 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000127EE0213D0, 16 bytes long.
 Data: < 5 &#238;'           > 98 35 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000127EE01CF10, 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 0x00000127EE021830, 16 bytes long.
 Data: <p5 &#238;'           > 70 35 02 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000127EE023570, 992 bytes long.
 Data: <0  &#238;'    &#207; &#238;'   > 30 18 02 EE 27 01 00 00 10 CF 01 EE 27 01 00 00 
{90} normal block at 0x00000127EE01D390, 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 0x00000127EE016A70, 16 bytes long.
 Data: <`&#181; &#238;'           > 60 B5 01 EE 27 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000127EE01B560, 40 bytes long.
 Data: <pj &#238;'    &#211; &#238;'   > 70 6A 01 EE 27 01 00 00 90 D3 01 EE 27 01 00 00 
{67} normal block at 0x00000127EE017330, 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 0x00000127EE016E30, 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 0x00000127EE016A20, 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 0x00000127EE0172E0, 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 0x00000127EE0167A0, 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 0x00000127EE0173D0, 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 0x00000127EE016980, 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 0x00000127EE016BB0, 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 0x00000127EE0170B0, 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 0x00000127EE017420, 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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