Task 38657495

Name test_713-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8003_0
Workunit 31601138
Created 24 Oct 2026, 11:43:26 UTC
Sent 24 Oct 2026, 11:55:03 UTC
Report deadline 29 Oct 2026, 11:55:03 UTC
Received 24 Oct 2026, 14:06:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628942
Run time 1 hours 3 min 57 sec
CPU time 53 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,879.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.44 MB
Peak swap size 2.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:02:09 (7992): wrapper (7.9.26016): starting
10:02:09 (7992): 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
10:02:24 (7992): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:02:24 (7992): 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
11:06:16 (7992): C:/Windows/system32/cmd.exe exited; CPU time 3196.828125
11:06:16 (7992): 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: 45391181 bytes.
Dumping objects ->
{3835273} normal block at 0x000001F139C1A200, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000001F139C1AC80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001F139C1A430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835240} normal block at 0x000001F139C1A660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001F139C1A270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835198} normal block at 0x000001F13B74F110, 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) : {3835185} normal block at 0x000001F139BEBAE0, 8 bytes long.
 Data: <  `;&#241;   > 00 00 60 3B F1 01 00 00 
{3833957} normal block at 0x000001F139BEBA90, 8 bytes long.
 Data: <P&#238;&#189;9&#241;   > 50 EE BD 39 F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F139BE46E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F139BE24E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F139BF71E0, 16 bytes long.
 Data: <x~&#191;9&#241;           > 78 7E BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F139BF6D80, 16 bytes long.
 Data: <P~&#191;9&#241;           > 50 7E BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F139BF0E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F139BF6DD0, 16 bytes long.
 Data: <(~&#191;9&#241;           > 28 7E BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F139BF6880, 16 bytes long.
 Data: < ~&#191;9&#241;           > 00 7E BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F139BF67E0, 16 bytes long.
 Data: <&#216;}&#191;9&#241;           > D8 7D BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F139BF6D30, 16 bytes long.
 Data: <&#176;}&#191;9&#241;           > B0 7D BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F139BF2F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F139BF7640, 16 bytes long.
 Data: < ,&#190;9&#241;           > 18 2C BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F139BF0FF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F139BF6A60, 16 bytes long.
 Data: <&#240;+&#190;9&#241;           > F0 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F139BF7190, 16 bytes long.
 Data: <&#200;+&#190;9&#241;           > C8 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F139BF7140, 16 bytes long.
 Data: <&#160;+&#190;9&#241;           > A0 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F139BF75A0, 16 bytes long.
 Data: <x+&#190;9&#241;           > 78 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F139BF72D0, 16 bytes long.
 Data: <P+&#190;9&#241;           > 50 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F139BF7550, 16 bytes long.
 Data: <(+&#190;9&#241;           > 28 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F139BF0870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F139BF6CE0, 16 bytes long.
 Data: < +&#190;9&#241;           > 00 2B BE 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F139BE2B00, 320 bytes long.
 Data: <&#224;l&#191;9&#241;   p &#191;9&#241;   > E0 6C BF 39 F1 01 00 00 70 08 BF 39 F1 01 00 00 
{274} normal block at 0x000001F139BF76E0, 16 bytes long.
 Data: < }&#191;9&#241;           > 90 7D BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F139BF7500, 16 bytes long.
 Data: <h}&#191;9&#241;           > 68 7D BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F139BF0990, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F139BF6C40, 16 bytes long.
 Data: <@}&#191;9&#241;           > 40 7D BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F139BF0F90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F139BF74B0, 16 bytes long.
 Data: < |&#191;9&#241;           > 88 7C BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F139BF6970, 16 bytes long.
 Data: <`|&#191;9&#241;           > 60 7C BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F139BF6A10, 16 bytes long.
 Data: <8|&#191;9&#241;           > 38 7C BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F139BF7000, 16 bytes long.
 Data: < |&#191;9&#241;           > 10 7C BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F139BF6790, 16 bytes long.
 Data: <&#232;{&#191;9&#241;           > E8 7B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F139BF7410, 16 bytes long.
 Data: <&#192;{&#191;9&#241;           > C0 7B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F139BF70A0, 16 bytes long.
 Data: <0,&#191;9&#241;           > 30 2C BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F139BF2C30, 40 bytes long.
 Data: <&#160;p&#191;9&#241;    &#241;t;&#241;   > A0 70 BF 39 F1 01 00 00 10 F1 74 3B F1 01 00 00 
{260} normal block at 0x000001F139BF7280, 16 bytes long.
 Data: <&#160;{&#191;9&#241;           > A0 7B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F139BF69C0, 16 bytes long.
 Data: <x{&#191;9&#241;           > 78 7B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F139BF08D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F139BF6830, 16 bytes long.
 Data: <P{&#191;9&#241;           > 50 7B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F139BF7B50, 992 bytes long.
 Data: <0h&#191;9&#241;   &#208; &#191;9&#241;   > 30 68 BF 39 F1 01 00 00 D0 08 BF 39 F1 01 00 00 
{92} normal block at 0x000001F139BF0810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F139BEBF40, 16 bytes long.
 Data: <&#192;+&#191;9&#241;           > C0 2B BF 39 F1 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F139BF2BC0, 40 bytes long.
 Data: <@&#191;&#190;9&#241;     &#191;9&#241;   > 40 BF BE 39 F1 01 00 00 10 08 BF 39 F1 01 00 00 
{69} normal block at 0x000001F139BEB7C0, 16 bytes long.
 Data: < &#234;&#179;&#249;&#246;           > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F139BEC170, 16 bytes long.
 Data: <@&#233;&#179;&#249;&#246;           > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F139BEC1C0, 16 bytes long.
 Data: <&#248;W&#176;&#249;&#246;           > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F139BEB9F0, 16 bytes long.
 Data: <&#216;W&#176;&#249;&#246;           > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F139BEC300, 16 bytes long.
 Data: <P &#176;&#249;&#246;           > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F139BEBC20, 16 bytes long.
 Data: <0 &#176;&#249;&#246;           > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F139BEC120, 16 bytes long.
 Data: <&#224; &#176;&#249;&#246;           > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F139BEBA40, 16 bytes long.
 Data: <  &#176;&#249;&#246;           > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F139BEC580, 16 bytes long.
 Data: <p &#176;&#249;&#246;           > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F139BEB950, 16 bytes long.
 Data: < &#192;&#174;&#249;&#246;           > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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