Task 38699947

Name test_951-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0708_0
Workunit 31640293
Created 6 Nov 2026, 9:09:36 UTC
Sent 6 Nov 2026, 9:09:41 UTC
Report deadline 11 Nov 2026, 9:09:41 UTC
Received 6 Nov 2026, 14:54:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611392
Run time 1 hours 36 min 23 sec
CPU time 1 hours 26 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.57 MB
Peak swap size 2.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:18:44 (8016): wrapper (7.9.26016): starting
14:18:44 (8016): 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
14:18:46 (8016): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:46 (8016): 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
15:52:49 (8016): C:/Windows/system32/cmd.exe exited; CPU time 5163.515625
15:52:49 (8016): 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: 69391061 bytes.
Dumping objects ->
{3835193} normal block at 0x000001F5D005B5B0, 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 0x000001F5D005BC40, 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 0x000001F5D005BBD0, 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 0x000001F5CE46D4B0, 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 0x000001F5CE46D980, 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 0x000001F5D00A4B00, 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 0x000001F5CE4676D0, 8 bytes long.
 Data: <  &#243;&#207;&#245;   > 00 00 F3 CF F5 01 00 00 
{3833963} normal block at 0x000001F5CE467630, 8 bytes long.
 Data: <pJ &#208;&#245;   > 70 4A 13 D0 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F5CE471770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F5CE474610, 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 0x000001F5CE473700, 16 bytes long.
 Data: < >G&#206;&#245;           > 98 3E 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F5CE472B20, 16 bytes long.
 Data: <p>G&#206;&#245;           > 70 3E 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F5CE46BF00, 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 0x000001F5CE472AD0, 16 bytes long.
 Data: <H>G&#206;&#245;           > 48 3E 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F5CE472FD0, 16 bytes long.
 Data: < >G&#206;&#245;           > 20 3E 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5CE4736B0, 16 bytes long.
 Data: <&#248;=G&#206;&#245;           > F8 3D 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F5CE472D50, 16 bytes long.
 Data: <&#208;=G&#206;&#245;           > D0 3D 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F5CE46D670, 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 0x000001F5CE472C60, 16 bytes long.
 Data: <H&G&#206;&#245;           > 48 26 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F5CE46C380, 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 0x000001F5CE472A30, 16 bytes long.
 Data: < &G&#206;&#245;           > 20 26 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F5CE472D00, 16 bytes long.
 Data: <&#248;%G&#206;&#245;           > F8 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5CE473610, 16 bytes long.
 Data: <&#208;%G&#206;&#245;           > D0 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F5CE473520, 16 bytes long.
 Data: <&#168;%G&#206;&#245;           > A8 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5CE472B70, 16 bytes long.
 Data: < %G&#206;&#245;           > 80 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F5CE472C10, 16 bytes long.
 Data: <X%G&#206;&#245;           > 58 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F5CE46BC00, 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 0x000001F5CE472F80, 16 bytes long.
 Data: <0%G&#206;&#245;           > 30 25 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5CE472530, 320 bytes long.
 Data: < /G&#206;&#245;    &#188;F&#206;&#245;   > 80 2F 47 CE F5 01 00 00 00 BC 46 CE F5 01 00 00 
{277} normal block at 0x000001F5CE4733E0, 16 bytes long.
 Data: <&#176;=G&#206;&#245;           > B0 3D 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5CE473340, 16 bytes long.
 Data: < =G&#206;&#245;           > 88 3D 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5CE46C560, 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 0x000001F5CE4729E0, 16 bytes long.
 Data: <`=G&#206;&#245;           > 60 3D 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F5CE46C440, 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 0x000001F5CE4734D0, 16 bytes long.
 Data: <&#168;<G&#206;&#245;           > A8 3C 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F5CE4732F0, 16 bytes long.
 Data: < <G&#206;&#245;           > 80 3C 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F5CE473660, 16 bytes long.
 Data: <X<G&#206;&#245;           > 58 3C 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F5CE473160, 16 bytes long.
 Data: <0<G&#206;&#245;           > 30 3C 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F5CE473430, 16 bytes long.
 Data: < <G&#206;&#245;           > 08 3C 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5CE473480, 16 bytes long.
 Data: <&#224;;G&#206;&#245;           > E0 3B 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5CE4735C0, 16 bytes long.
 Data: <P&#215;F&#206;&#245;           > 50 D7 46 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5CE46D750, 40 bytes long.
 Data: <&#192;5G&#206;&#245;    K &#208;&#245;   > C0 35 47 CE F5 01 00 00 00 4B 0A D0 F5 01 00 00 
{263} normal block at 0x000001F5CE472EE0, 16 bytes long.
 Data: <&#192;;G&#206;&#245;           > C0 3B 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5CE473110, 16 bytes long.
 Data: < ;G&#206;&#245;           > 98 3B 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5CE46BCC0, 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 0x000001F5CE472E90, 16 bytes long.
 Data: <p;G&#206;&#245;           > 70 3B 47 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5CE473B70, 992 bytes long.
 Data: < .G&#206;&#245;   &#192;&#188;F&#206;&#245;   > 90 2E 47 CE F5 01 00 00 C0 BC 46 CE F5 01 00 00 
{95} normal block at 0x000001F5CE46B7E0, 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 0x000001F5CE467540, 16 bytes long.
 Data: <`&#211;F&#206;&#245;           > 60 D3 46 CE F5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F5CE46D360, 40 bytes long.
 Data: <@uF&#206;&#245;   &#224;&#183;F&#206;&#245;   > 40 75 46 CE F5 01 00 00 E0 B7 46 CE F5 01 00 00 
{72} normal block at 0x000001F5CE466FA0, 16 bytes long.
 Data: < &#234;&#193;&#133;&#246;           > 80 EA C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F5CE4668C0, 16 bytes long.
 Data: <@&#233;&#193;&#133;&#246;           > 40 E9 C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F5CE466F50, 16 bytes long.
 Data: <&#248;W&#190;&#133;&#246;           > F8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F5CE4673B0, 16 bytes long.
 Data: <&#216;W&#190;&#133;&#246;           > D8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F5CE4672C0, 16 bytes long.
 Data: <P &#190;&#133;&#246;           > 50 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F5CE467360, 16 bytes long.
 Data: <0 &#190;&#133;&#246;           > 30 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F5CE4674F0, 16 bytes long.
 Data: <&#224; &#190;&#133;&#246;           > E0 02 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F5CE466A50, 16 bytes long.
 Data: <  &#190;&#133;&#246;           > 10 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F5CE467400, 16 bytes long.
 Data: <p &#190;&#133;&#246;           > 70 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5CE466F00, 16 bytes long.
 Data: < &#192;&#188;&#133;&#246;           > 18 C0 BC 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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