Task 38699458

Name test_860-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1873_1
Workunit 31634126
Created 4 Nov 2026, 9:05:32 UTC
Sent 4 Nov 2026, 9:05:38 UTC
Report deadline 9 Nov 2026, 9:05:38 UTC
Received 4 Nov 2026, 10:07:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 1 hours 0 min 21 sec
CPU time 56 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.44 MB
Peak swap size 3.87 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:07:42 (11520): wrapper (7.9.26016): starting
10:07:42 (11520): 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
10:07:46 (11520): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:07:46 (11520): 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\1\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\1\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
11:06:13 (11520): C:/Windows/system32/cmd.exe exited; CPU time 3374.781250
11:06:13 (11520): 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: 40394971 bytes.
Dumping objects ->
{3835420} normal block at 0x00000140D0DE5C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x00000140D0DE66A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x00000140D0DE6400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x00000140D0DE5C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x00000140CF1FB060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x00000140D0CFBB50, 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) : {3835332} normal block at 0x00000140CF1F6CE0, 8 bytes long.
 Data: <   &#207;@   > 00 00 1C CF 40 01 00 00 
{3833953} normal block at 0x00000140CF1F6BF0, 8 bytes long.
 Data: <&#160;L&#222;&#208;@   > A0 4C DE D0 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000140CF201060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000140CF1EAD90, 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 0x00000140CF202D20, 16 bytes long.
 Data: < 6 &#207;@           > 98 36 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000140CF202CD0, 16 bytes long.
 Data: <p6 &#207;@           > 70 36 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000140CF1FCED0, 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 0x00000140CF2025F0, 16 bytes long.
 Data: <H6 &#207;@           > 48 36 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000140CF202AF0, 16 bytes long.
 Data: < 6 &#207;@           > 20 36 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000140CF2025A0, 16 bytes long.
 Data: <&#248;5 &#207;@           > F8 35 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000140CF202A50, 16 bytes long.
 Data: <&#208;5 &#207;@           > D0 35 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000140CF1FB290, 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 0x00000140CF202A00, 16 bytes long.
 Data: < &#196; &#207;@           > 98 C4 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000140CF1FC810, 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 0x00000140CF202960, 16 bytes long.
 Data: <p&#196; &#207;@           > 70 C4 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000140CF202460, 16 bytes long.
 Data: <H&#196; &#207;@           > 48 C4 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000140CF202370, 16 bytes long.
 Data: < &#196; &#207;@           > 20 C4 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000140CF202320, 16 bytes long.
 Data: <&#248;&#195; &#207;@           > F8 C3 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000140CF202140, 16 bytes long.
 Data: <&#208;&#195; &#207;@           > D0 C3 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000140CF202C80, 16 bytes long.
 Data: <&#168;&#195; &#207;@           > A8 C3 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000140CF1FC990, 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 0x00000140CF2020F0, 16 bytes long.
 Data: < &#195; &#207;@           > 80 C3 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000140CF1FC380, 320 bytes long.
 Data: <&#240;  &#207;@    &#201; &#207;@   > F0 20 20 CF 40 01 00 00 90 C9 1F CF 40 01 00 00 
{272} normal block at 0x00000140CF202C30, 16 bytes long.
 Data: <&#176;5 &#207;@           > B0 35 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000140CF2029B0, 16 bytes long.
 Data: < 5 &#207;@           > 88 35 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000140CF1FD290, 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 0x00000140CF202910, 16 bytes long.
 Data: <`5 &#207;@           > 60 35 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000140CF1FD350, 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 0x00000140CF202B40, 16 bytes long.
 Data: <&#168;4 &#207;@           > A8 34 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000140CF202550, 16 bytes long.
 Data: < 4 &#207;@           > 80 34 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000140CF2022D0, 16 bytes long.
 Data: <X4 &#207;@           > 58 34 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000140CF202410, 16 bytes long.
 Data: <04 &#207;@           > 30 34 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000140CF202230, 16 bytes long.
 Data: < 4 &#207;@           > 08 34 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000140CF202050, 16 bytes long.
 Data: <&#224;3 &#207;@           > E0 33 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000140CF201FB0, 16 bytes long.
 Data: <   &#207;@           > 20 B2 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000140CF1FB220, 40 bytes long.
 Data: <&#176;  &#207;@   P&#187;&#207;&#208;@   > B0 1F 20 CF 40 01 00 00 50 BB CF D0 40 01 00 00 
{258} normal block at 0x00000140CF202F00, 16 bytes long.
 Data: <&#192;3 &#207;@           > C0 33 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000140CF202500, 16 bytes long.
 Data: < 3 &#207;@           > 98 33 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000140CF1FC5D0, 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 0x00000140CF202190, 16 bytes long.
 Data: <p3 &#207;@           > 70 33 20 CF 40 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000140CF203370, 992 bytes long.
 Data: < ! &#207;@   &#208;&#197; &#207;@   > 90 21 20 CF 40 01 00 00 D0 C5 1F CF 40 01 00 00 
{90} normal block at 0x00000140CF1FD410, 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 0x00000140CF1F6C90, 16 bytes long.
 Data: <&#208;&#176; &#207;@           > D0 B0 1F CF 40 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000140CF1FB0D0, 40 bytes long.
 Data: < l &#207;@    &#212; &#207;@   > 90 6C 1F CF 40 01 00 00 10 D4 1F CF 40 01 00 00 
{67} normal block at 0x00000140CF1F64C0, 16 bytes long.
 Data: < &#234;&#154;B&#246;           > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000140CF1F6470, 16 bytes long.
 Data: <@&#233;&#154;B&#246;           > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000140CF1F6B00, 16 bytes long.
 Data: <&#248;W&#151;B&#246;           > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000140CF1F6A60, 16 bytes long.
 Data: <&#216;W&#151;B&#246;           > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000140CF1F6380, 16 bytes long.
 Data: <P &#151;B&#246;           > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000140CF1F7050, 16 bytes long.
 Data: <0 &#151;B&#246;           > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000140CF1F7230, 16 bytes long.
 Data: <&#224; &#151;B&#246;           > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000140CF1F6A10, 16 bytes long.
 Data: <  &#151;B&#246;           > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000140CF1F65B0, 16 bytes long.
 Data: <p &#151;B&#246;           > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000140CF1F6970, 16 bytes long.
 Data: < &#192;&#149;B&#246;           > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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