Task 38696427

Name test_404-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3875_0
Workunit 31637060
Created 31 Oct 2026, 23:34:23 UTC
Sent 31 Oct 2026, 23:34:26 UTC
Report deadline 5 Nov 2026, 23:34:26 UTC
Received 1 Nov 2026, 0:16:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640529
Run time 41 min 39 sec
CPU time 37 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.96 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:35:38 (4328): wrapper (7.9.26016): starting
16:35:38 (4328): 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
16:35:39 (4328): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:35:39 (4328): 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 'D:\BOINC\slots\6\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 'D:\BOINC\slots\6\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
17:16:17 (4328): C:/Windows/system32/cmd.exe exited; CPU time 2250.125000
17:16:17 (4328): 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: 26595651 bytes.
Dumping objects ->
{3835192} normal block at 0x000001D512284950, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000001D5140C1DC0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835170} normal block at 0x000001D5140C1EE0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835159} normal block at 0x000001D5140C0FE0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835148} normal block at 0x000001D5140C17C0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x000001D512284E20, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000001D51227DC40, 8 bytes long.
 Data: <  y &#213;   > 00 00 79 12 D5 01 00 00 
{3833949} normal block at 0x000001D51227D9C0, 8 bytes long.
 Data: < &#156;* &#213;   > 20 9C 2A 12 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001D5122816A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D5122759D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001D512285B50, 16 bytes long.
 Data: <&#248;b( &#213;           > F8 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D512285470, 16 bytes long.
 Data: <&#208;b( &#213;           > D0 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D51227F790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001D512285BA0, 16 bytes long.
 Data: <&#168;b( &#213;           > A8 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D5122853D0, 16 bytes long.
 Data: < b( &#213;           > 80 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D512285830, 16 bytes long.
 Data: <Xb( &#213;           > 58 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D512285650, 16 bytes long.
 Data: <0b( &#213;           > 30 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D512284B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001D512285740, 16 bytes long.
 Data: < &#231;' &#213;           > 88 E7 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D51227ED10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001D5122856F0, 16 bytes long.
 Data: <`&#231;' &#213;           > 60 E7 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D512285E70, 16 bytes long.
 Data: <8&#231;' &#213;           > 38 E7 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D512285330, 16 bytes long.
 Data: < &#231;' &#213;           > 10 E7 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D5122854C0, 16 bytes long.
 Data: <&#232;&#230;' &#213;           > E8 E6 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D512285A10, 16 bytes long.
 Data: <&#192;&#230;' &#213;           > C0 E6 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D512285F60, 16 bytes long.
 Data: < &#230;' &#213;           > 98 E6 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D51227F3D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001D512285560, 16 bytes long.
 Data: <p&#230;' &#213;           > 70 E6 27 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D51227E670, 320 bytes long.
 Data: <`U( &#213;   &#208;&#243;' &#213;   > 60 55 28 12 D5 01 00 00 D0 F3 27 12 D5 01 00 00 
{270} normal block at 0x000001D512285420, 16 bytes long.
 Data: < b( &#213;           > 10 62 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D512285290, 16 bytes long.
 Data: <&#232;a( &#213;           > E8 61 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D51227ECB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001D512285F10, 16 bytes long.
 Data: <&#192;a( &#213;           > C0 61 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D51227F070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001D512285DD0, 16 bytes long.
 Data: < a( &#213;           > 08 61 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D5122852E0, 16 bytes long.
 Data: <&#224;`( &#213;           > E0 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D5122851A0, 16 bytes long.
 Data: <&#184;`( &#213;           > B8 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D5122851F0, 16 bytes long.
 Data: < `( &#213;           > 90 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D5122857E0, 16 bytes long.
 Data: <h`( &#213;           > 68 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D512285790, 16 bytes long.
 Data: <@`( &#213;           > 40 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D512285380, 16 bytes long.
 Data: <`L( &#213;           > 60 4C 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D512284C60, 40 bytes long.
 Data: < S( &#213;    N( &#213;   > 80 53 28 12 D5 01 00 00 20 4E 28 12 D5 01 00 00 
{256} normal block at 0x000001D5122855B0, 16 bytes long.
 Data: < `( &#213;           > 20 60 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D5122859C0, 16 bytes long.
 Data: <&#248;_( &#213;           > F8 5F 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D51227F6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001D512285970, 16 bytes long.
 Data: <&#208;_( &#213;           > D0 5F 28 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D512285FD0, 992 bytes long.
 Data: <pY( &#213;   &#208;&#246;' &#213;   > 70 59 28 12 D5 01 00 00 D0 F6 27 12 D5 01 00 00 
{88} normal block at 0x000001D51227F5B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001D51227CFC0, 16 bytes long.
 Data: <&#208;&#240;& &#213;           > D0 F0 26 12 D5 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001D51226F0D0, 40 bytes long.
 Data: <&#192;&#207;' &#213;   &#176;&#245;' &#213;   > C0 CF 27 12 D5 01 00 00 B0 F5 27 12 D5 01 00 00 
{65} normal block at 0x000001D51227CF20, 16 bytes long.
 Data: < &#234;&#193; &#247;           > 80 EA C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D51227DAB0, 16 bytes long.
 Data: <@&#233;&#193; &#247;           > 40 E9 C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D51227DC90, 16 bytes long.
 Data: <&#248;W&#190; &#247;           > F8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D51227DCE0, 16 bytes long.
 Data: <&#216;W&#190; &#247;           > D8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D51227D740, 16 bytes long.
 Data: <P &#190; &#247;           > 50 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D51227D7E0, 16 bytes long.
 Data: <0 &#190; &#247;           > 30 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D51227D240, 16 bytes long.
 Data: <&#224; &#190; &#247;           > E0 02 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D51227DB50, 16 bytes long.
 Data: <  &#190; &#247;           > 10 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D51227DBA0, 16 bytes long.
 Data: <p &#190; &#247;           > 70 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D51227CED0, 16 bytes long.
 Data: < &#192;&#188; &#247;           > 18 C0 BC 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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