Task 38670198

Name test_324-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3407_0
Workunit 31612460
Created 25 Oct 2026, 16:46:29 UTC
Sent 25 Oct 2026, 16:46:36 UTC
Report deadline 30 Oct 2026, 16:46:36 UTC
Received 25 Oct 2026, 18:19:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 32 min 50 sec
CPU time 30 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 804.02 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:46:32 (864): wrapper (7.9.26016): starting
19:46:32 (864): 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
19:46:33 (864): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:46:33 (864): 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
20:18:39 (864): C:/Windows/system32/cmd.exe exited; CPU time 1859.687500
20:18:39 (864): 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: 54847713 bytes.
Dumping objects ->
{3835491} normal block at 0x0000022EEAAE2980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000022EEAAE2520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000022EEAAE29F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000022EE8E864B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000022EE8E863D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000022EEAC5D110, 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) : {3835403} normal block at 0x0000022EE8E80830, 8 bytes long.
 Data: <  B&#233;.   > 00 00 42 E9 2E 02 00 00 
{3833963} normal block at 0x0000022EE8E7FC50, 8 bytes long.
 Data: <&#160;i&#206;&#234;.   > A0 69 CE EA 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022EE8E7EA50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022EE8E77670, 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 0x0000022EE8E87140, 16 bytes long.
 Data: <&#248;|&#232;&#232;.           > F8 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022EE8E86C40, 16 bytes long.
 Data: <&#208;|&#232;&#232;.           > D0 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022EE8E819E0, 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 0x0000022EE8E87280, 16 bytes long.
 Data: <&#168;|&#232;&#232;.           > A8 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022EE8E87410, 16 bytes long.
 Data: < |&#232;&#232;.           > 80 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022EE8E86DD0, 16 bytes long.
 Data: <X|&#232;&#232;.           > 58 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022EE8E86B50, 16 bytes long.
 Data: <0|&#232;&#232;.           > 30 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022EE8E86590, 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 0x0000022EE8E86B00, 16 bytes long.
 Data: <&#232;&#248;&#231;&#232;.           > E8 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022EE8E81800, 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 0x0000022EE8E86D80, 16 bytes long.
 Data: <&#192;&#248;&#231;&#232;.           > C0 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022EE8E86BF0, 16 bytes long.
 Data: < &#248;&#231;&#232;.           > 98 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022EE8E87050, 16 bytes long.
 Data: <p&#248;&#231;&#232;.           > 70 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022EE8E87960, 16 bytes long.
 Data: <H&#248;&#231;&#232;.           > 48 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022EE8E870F0, 16 bytes long.
 Data: < &#248;&#231;&#232;.           > 20 F8 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022EE8E878C0, 16 bytes long.
 Data: <&#248;&#247;&#231;&#232;.           > F8 F7 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022EE8E81500, 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 0x0000022EE8E87870, 16 bytes long.
 Data: <&#208;&#247;&#231;&#232;.           > D0 F7 E7 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022EE8E7F7D0, 320 bytes long.
 Data: <px&#232;&#232;.     &#232;&#232;.   > 70 78 E8 E8 2E 02 00 00 00 15 E8 E8 2E 02 00 00 
{277} normal block at 0x0000022EE8E870A0, 16 bytes long.
 Data: < |&#232;&#232;.           > 10 7C E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022EE8E873C0, 16 bytes long.
 Data: <&#232;{&#232;&#232;.           > E8 7B E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022EE8E81740, 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 0x0000022EE8E86AB0, 16 bytes long.
 Data: <&#192;{&#232;&#232;.           > C0 7B E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022EE8E817A0, 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 0x0000022EE8E87780, 16 bytes long.
 Data: < {&#232;&#232;.           > 08 7B E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022EE8E87820, 16 bytes long.
 Data: <&#224;z&#232;&#232;.           > E0 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022EE8E87000, 16 bytes long.
 Data: <&#184;z&#232;&#232;.           > B8 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022EE8E86A60, 16 bytes long.
 Data: < z&#232;&#232;.           > 90 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022EE8E86A10, 16 bytes long.
 Data: <hz&#232;&#232;.           > 68 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022EE8E86FB0, 16 bytes long.
 Data: <@z&#232;&#232;.           > 40 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022EE8E877D0, 16 bytes long.
 Data: <&#240;b&#232;&#232;.           > F0 62 E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022EE8E862F0, 40 bytes long.
 Data: <&#208;w&#232;&#232;.    &#209;&#197;&#234;.   > D0 77 E8 E8 2E 02 00 00 10 D1 C5 EA 2E 02 00 00 
{263} normal block at 0x0000022EE8E86BA0, 16 bytes long.
 Data: < z&#232;&#232;.           > 20 7A E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022EE8E87690, 16 bytes long.
 Data: <&#248;y&#232;&#232;.           > F8 79 E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022EE8E80E40, 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 0x0000022EE8E86F60, 16 bytes long.
 Data: <&#208;y&#232;&#232;.           > D0 79 E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022EE8E879D0, 992 bytes long.
 Data: <`o&#232;&#232;.   @ &#232;&#232;.   > 60 6F E8 E8 2E 02 00 00 40 0E E8 E8 2E 02 00 00 
{95} normal block at 0x0000022EE8E812C0, 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 0x0000022EE8E80970, 16 bytes long.
 Data: <0a&#232;&#232;.           > 30 61 E8 E8 2E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022EE8E86130, 40 bytes long.
 Data: <p	&#232;&#232;.   &#192; &#232;&#232;.   > 70 09 E8 E8 2E 02 00 00 C0 12 E8 E8 2E 02 00 00 
{72} normal block at 0x0000022EE8E80A60, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022EE8E80740, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022EE8E80B50, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022EE8E80650, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022EE8E7FED0, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022EE8E80240, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022EE8E7FD40, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022EE8E80100, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022EE8E80AB0, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022EE8E801F0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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