Task 38667762

Name test_650-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2597_0
Workunit 31610359
Created 25 Oct 2026, 9:19:37 UTC
Sent 25 Oct 2026, 9:19:42 UTC
Report deadline 30 Oct 2026, 9:19:42 UTC
Received 25 Oct 2026, 10:40:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613450
Run time 27 min 3 sec
CPU time 25 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.71 MB
Peak swap size 9.95 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:12:12 (10936): wrapper (7.9.26016): starting
04:12:12 (10936): 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
04:12:13 (10936): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:12:13 (10936): 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:\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 'E:\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
04:38:34 (10936): C:/Windows/system32/cmd.exe exited; CPU time 1525.406250
04:38:34 (10936): 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: 27854977 bytes.
Dumping objects ->
{3835435} normal block at 0x00000276B95C5470, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835424} normal block at 0x00000276BB2C15C0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835413} normal block at 0x00000276BB2C0D20, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835402} normal block at 0x00000276BB2C11A0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835391} normal block at 0x00000276BB2C0780, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835360} normal block at 0x00000276B95C5400, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835347} normal block at 0x00000276B95BD900, 8 bytes long.
 Data: <  S&#185;v   > 00 00 53 B9 76 02 00 00 
{3833963} normal block at 0x00000276B95BD810, 8 bytes long.
 Data: < R-&#187;v   > 20 52 2D BB 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000276B95B1030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000276B95B22B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000276B95C5E30, 16 bytes long.
 Data: <&#200;p\&#185;v           > C8 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000276B95C60B0, 16 bytes long.
 Data: <&#160;p\&#185;v           > A0 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000276B95C0500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000276B95C65B0, 16 bytes long.
 Data: <xp\&#185;v           > 78 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000276B95C6CE0, 16 bytes long.
 Data: <Pp\&#185;v           > 50 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000276B95C6C90, 16 bytes long.
 Data: <(p\&#185;v           > 28 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000276B95C6650, 16 bytes long.
 Data: < p\&#185;v           > 00 70 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000276B95C5320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000276B95C6560, 16 bytes long.
 Data: <X&#246;Z&#185;v           > 58 F6 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000276B95C05C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000276B95C6420, 16 bytes long.
 Data: <0&#246;Z&#185;v           > 30 F6 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000276B95C6380, 16 bytes long.
 Data: < &#246;Z&#185;v           > 08 F6 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000276B95C6740, 16 bytes long.
 Data: <&#224;&#245;Z&#185;v           > E0 F5 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000276B95C62E0, 16 bytes long.
 Data: <&#184;&#245;Z&#185;v           > B8 F5 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000276B95C64C0, 16 bytes long.
 Data: < &#245;Z&#185;v           > 90 F5 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276B95C6970, 16 bytes long.
 Data: <h&#245;Z&#185;v           > 68 F5 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000276B95C07A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000276B95C6060, 16 bytes long.
 Data: <@&#245;Z&#185;v           > 40 F5 5A B9 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000276B95AF540, 320 bytes long.
 Data: <``\&#185;v   &#160; \&#185;v   > 60 60 5C B9 76 02 00 00 A0 07 5C B9 76 02 00 00 
{277} normal block at 0x00000276B95C6B00, 16 bytes long.
 Data: <&#224;o\&#185;v           > E0 6F 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000276B95C6C40, 16 bytes long.
 Data: <&#184;o\&#185;v           > B8 6F 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000276B95C0200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000276B95C6470, 16 bytes long.
 Data: < o\&#185;v           > 90 6F 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000276B95C0140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000276B95C61F0, 16 bytes long.
 Data: <&#216;n\&#185;v           > D8 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000276B95C6AB0, 16 bytes long.
 Data: <&#176;n\&#185;v           > B0 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000276B95C6290, 16 bytes long.
 Data: < n\&#185;v           > 88 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000276B95C63D0, 16 bytes long.
 Data: <`n\&#185;v           > 60 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000276B95C61A0, 16 bytes long.
 Data: <8n\&#185;v           > 38 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276B95C6510, 16 bytes long.
 Data: < n\&#185;v           > 10 6E 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000276B95C6600, 16 bytes long.
 Data: < S\&#185;v           > 90 53 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276B95C5390, 40 bytes long.
 Data: < f\&#185;v    T\&#185;v   > 00 66 5C B9 76 02 00 00 00 54 5C B9 76 02 00 00 
{263} normal block at 0x00000276B95C6240, 16 bytes long.
 Data: <&#240;m\&#185;v           > F0 6D 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000276B95C69C0, 16 bytes long.
 Data: <&#200;m\&#185;v           > C8 6D 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000276B95C0740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000276B95C6100, 16 bytes long.
 Data: <&#160;m\&#185;v           > A0 6D 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000276B95C6DA0, 992 bytes long.
 Data: < a\&#185;v   @ \&#185;v   > 00 61 5C B9 76 02 00 00 40 07 5C B9 76 02 00 00 
{95} normal block at 0x00000276B95C0320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000276B95BDD60, 16 bytes long.
 Data: <&#160;V\&#185;v           > A0 56 5C B9 76 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000276B95C56A0, 40 bytes long.
 Data: <`&#221;[&#185;v     \&#185;v   > 60 DD 5B B9 76 02 00 00 20 03 5C B9 76 02 00 00 
{72} normal block at 0x00000276B95BD9A0, 16 bytes long.
 Data: < &#234;%c&#246;           > 80 EA 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000276B95BDB80, 16 bytes long.
 Data: <@&#233;%c&#246;           > 40 E9 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000276B95BDCC0, 16 bytes long.
 Data: <&#248;W"c&#246;           > F8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000276B95BE0D0, 16 bytes long.
 Data: <&#216;W"c&#246;           > D8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000276B95BD720, 16 bytes long.
 Data: <P "c&#246;           > 50 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000276B95BDC70, 16 bytes long.
 Data: <0 "c&#246;           > 30 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000276B95BDD10, 16 bytes long.
 Data: <&#224; "c&#246;           > E0 02 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000276B95BD770, 16 bytes long.
 Data: <  "c&#246;           > 10 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000276B95BE620, 16 bytes long.
 Data: <p "c&#246;           > 70 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000276B95BDEF0, 16 bytes long.
 Data: < &#192; c&#246;           > 18 C0 20 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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