Task 38670265

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5744_0
Workunit 31612522
Created 25 Oct 2026, 16:59:02 UTC
Sent 25 Oct 2026, 16:59:06 UTC
Report deadline 30 Oct 2026, 16:59:06 UTC
Received 25 Oct 2026, 17:24:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641314
Run time 24 min 1 sec
CPU time 24 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,855.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.95 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:01:05 (9100): wrapper (7.9.26016): starting
11:01:05 (9100): 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
11:01:06 (9100): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:01:06 (9100): 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\4\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\4\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
11:24:09 (9100): C:/Windows/system32/cmd.exe exited; CPU time 1441.140625
11:24:09 (9100): 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: 23269711 bytes.
Dumping objects ->
{3835193} normal block at 0x0000023AAFBF8610, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000023AAFBF8300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x0000023AAFBF8290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x0000023AAFBF7F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000023AAFBF8450, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000023AB1977B10, 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) : {3835105} normal block at 0x0000023AAFBF15B0, 8 bytes long.
 Data: <   &#176;:   > 00 00 08 B0 3A 02 00 00 
{3833955} normal block at 0x0000023AAFBF1240, 8 bytes long.
 Data: <Pu&#160;&#177;:   > 50 75 A0 B1 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023AAFBEBE30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023AAFBE5910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000023AAFBF90E0, 16 bytes long.
 Data: <x&#158;&#191;&#175;:           > 78 9E BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023AAFBF8E10, 16 bytes long.
 Data: <P&#158;&#191;&#175;:           > 50 9E BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023AAFBF4C00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000023AAFBF9590, 16 bytes long.
 Data: <(&#158;&#191;&#175;:           > 28 9E BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023AAFBF8D70, 16 bytes long.
 Data: < &#158;&#191;&#175;:           > 00 9E BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023AAFBF8C80, 16 bytes long.
 Data: <&#216; &#191;&#175;:           > D8 9D BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023AAFBF9540, 16 bytes long.
 Data: <&#176; &#191;&#175;:           > B0 9D BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023AAFBF8060, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000023AAFBF95E0, 16 bytes long.
 Data: <&#232;1&#190;&#175;:           > E8 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023AAFBF4CC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000023AAFBF99A0, 16 bytes long.
 Data: <&#192;1&#190;&#175;:           > C0 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023AAFBF9860, 16 bytes long.
 Data: < 1&#190;&#175;:           > 98 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023AAFBF9680, 16 bytes long.
 Data: <p1&#190;&#175;:           > 70 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023AAFBF9950, 16 bytes long.
 Data: <H1&#190;&#175;:           > 48 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023AAFBF9040, 16 bytes long.
 Data: < 1&#190;&#175;:           > 20 31 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023AAFBF9810, 16 bytes long.
 Data: <&#248;0&#190;&#175;:           > F8 30 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023AAFBF45A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000023AAFBF94F0, 16 bytes long.
 Data: <&#208;0&#190;&#175;:           > D0 30 BE AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023AAFBE30D0, 320 bytes long.
 Data: <&#240;&#148;&#191;&#175;:   &#160;E&#191;&#175;:   > F0 94 BF AF 3A 02 00 00 A0 45 BF AF 3A 02 00 00 
{273} normal block at 0x0000023AAFBF8D20, 16 bytes long.
 Data: <  &#191;&#175;:           > 90 9D BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023AAFBF8FF0, 16 bytes long.
 Data: <h &#191;&#175;:           > 68 9D BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023AAFBF4A80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000023AAFBF94A0, 16 bytes long.
 Data: <@ &#191;&#175;:           > 40 9D BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023AAFBF4960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000023AAFBF8FA0, 16 bytes long.
 Data: < &#156;&#191;&#175;:           > 88 9C BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023AAFBF9450, 16 bytes long.
 Data: <`&#156;&#191;&#175;:           > 60 9C BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023AAFBF9770, 16 bytes long.
 Data: <8&#156;&#191;&#175;:           > 38 9C BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023AAFBF8E60, 16 bytes long.
 Data: < &#156;&#191;&#175;:           > 10 9C BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023AAFBF9720, 16 bytes long.
 Data: <&#232;&#155;&#191;&#175;:           > E8 9B BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023AAFBF99F0, 16 bytes long.
 Data: <&#192;&#155;&#191;&#175;:           > C0 9B BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023AAFBF9090, 16 bytes long.
 Data: <&#240; &#191;&#175;:           > F0 7F BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023AAFBF7FF0, 40 bytes long.
 Data: <  &#191;&#175;:    {&#151;&#177;:   > 90 90 BF AF 3A 02 00 00 10 7B 97 B1 3A 02 00 00 
{259} normal block at 0x0000023AAFBF9900, 16 bytes long.
 Data: <&#160;&#155;&#191;&#175;:           > A0 9B BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023AAFBF8DC0, 16 bytes long.
 Data: <x&#155;&#191;&#175;:           > 78 9B BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023AAFBF4900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000023AAFBF9310, 16 bytes long.
 Data: <P&#155;&#191;&#175;:           > 50 9B BF AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023AAFBF9B50, 992 bytes long.
 Data: < &#147;&#191;&#175;:    I&#191;&#175;:   > 10 93 BF AF 3A 02 00 00 00 49 BF AF 3A 02 00 00 
{91} normal block at 0x0000023AAFBF4A20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000023AAFBF1A10, 16 bytes long.
 Data: < &#241;&#189;&#175;:           > 00 F1 BD AF 3A 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000023AAFBDF100, 40 bytes long.
 Data: <  &#191;&#175;:    J&#191;&#175;:   > 10 1A BF AF 3A 02 00 00 20 4A BF AF 3A 02 00 00 
{68} normal block at 0x0000023AAFBF1560, 16 bytes long.
 Data: < &#234; W&#246;           > 80 EA 17 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023AAFBF0E80, 16 bytes long.
 Data: <@&#233; W&#246;           > 40 E9 17 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023AAFBF0D90, 16 bytes long.
 Data: <&#248;W W&#246;           > F8 57 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023AAFBF1920, 16 bytes long.
 Data: <&#216;W W&#246;           > D8 57 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023AAFBF1380, 16 bytes long.
 Data: <P  W&#246;           > 50 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023AAFBF0F20, 16 bytes long.
 Data: <0  W&#246;           > 30 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023AAFBF16A0, 16 bytes long.
 Data: <&#224;  W&#246;           > E0 02 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023AAFBF11F0, 16 bytes long.
 Data: <   W&#246;           > 10 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023AAFBF1510, 16 bytes long.
 Data: <p  W&#246;           > 70 04 14 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023AAFBF14C0, 16 bytes long.
 Data: < &#192; W&#246;           > 18 C0 12 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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