Task 38678776

Name test_368-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0907_0
Workunit 31620582
Created 26 Oct 2026, 18:28:13 UTC
Sent 26 Oct 2026, 18:28:14 UTC
Report deadline 31 Oct 2026, 18:28:14 UTC
Received 26 Oct 2026, 19:16:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min 16 sec
CPU time 19 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.44 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:55:19 (23324): wrapper (7.9.26016): starting
20:55:19 (23324): 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
20:55:20 (23324): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:55:20 (23324): 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
21:15:47 (23324): C:/Windows/system32/cmd.exe exited; CPU time 1191.828125
21:15:47 (23324): 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: 26487125 bytes.
Dumping objects ->
{3835275} normal block at 0x000001CD1B57F410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000001CD196A59F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001CD196A5980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x000001CD196A5830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001CD196A5A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000001CD1B57B590, 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) : {3835187} normal block at 0x000001CD1969E3A0, 8 bytes long.
 Data: <  &#187; &#205;   > 00 00 BB 19 CD 01 00 00 
{3833939} normal block at 0x000001CD1969D900, 8 bytes long.
 Data: <&#240;&#229;w &#205;   > F0 E5 77 19 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001CD1969E960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CD19695CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001CD196A7100, 16 bytes long.
 Data: <&#232;tj &#205;           > E8 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CD196A6CF0, 16 bytes long.
 Data: <&#192;tj &#205;           > C0 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CD196A50D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001CD196A6250, 16 bytes long.
 Data: < tj &#205;           > 98 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CD196A64D0, 16 bytes long.
 Data: <ptj &#205;           > 70 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD196A66B0, 16 bytes long.
 Data: <Htj &#205;           > 48 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD196A6B60, 16 bytes long.
 Data: < tj &#205;           > 20 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD196A5910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001CD196A6C00, 16 bytes long.
 Data: < `j &#205;           > 98 60 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD196A5010, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001CD196A6F20, 16 bytes long.
 Data: <p`j &#205;           > 70 60 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD196A6480, 16 bytes long.
 Data: <H`j &#205;           > 48 60 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CD196A6200, 16 bytes long.
 Data: < `j &#205;           > 20 60 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CD196A6C50, 16 bytes long.
 Data: <&#248;_j &#205;           > F8 5F 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD196A6A20, 16 bytes long.
 Data: <&#208;_j &#205;           > D0 5F 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CD196A62F0, 16 bytes long.
 Data: <&#168;_j &#205;           > A8 5F 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CD196A4FB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001CD196A6ED0, 16 bytes long.
 Data: < _j &#205;           > 80 5F 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CD196A5F80, 320 bytes long.
 Data: <&#208;nj &#205;   &#176;Oj &#205;   > D0 6E 6A 19 CD 01 00 00 B0 4F 6A 19 CD 01 00 00 
{265} normal block at 0x000001CD196A6840, 16 bytes long.
 Data: < tj &#205;           > 00 74 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD196A6AC0, 16 bytes long.
 Data: <&#216;sj &#205;           > D8 73 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CD196A5130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001CD196A6E80, 16 bytes long.
 Data: <&#176;sj &#205;           > B0 73 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CD196A4470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001CD196A67F0, 16 bytes long.
 Data: <&#248;rj &#205;           > F8 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD196A6610, 16 bytes long.
 Data: <&#208;rj &#205;           > D0 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CD196A6BB0, 16 bytes long.
 Data: <&#168;rj &#205;           > A8 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CD196A7060, 16 bytes long.
 Data: < rj &#205;           > 80 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CD196A6B10, 16 bytes long.
 Data: <Xrj &#205;           > 58 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CD196A63E0, 16 bytes long.
 Data: <0rj &#205;           > 30 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CD196A6F70, 16 bytes long.
 Data: <&#208;Zj &#205;           > D0 5A 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CD196A5AD0, 40 bytes long.
 Data: <poj &#205;    &#181;W &#205;   > 70 6F 6A 19 CD 01 00 00 90 B5 57 1B CD 01 00 00 
{251} normal block at 0x000001CD196A6A70, 16 bytes long.
 Data: < rj &#205;           > 10 72 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CD196A6CA0, 16 bytes long.
 Data: <&#232;qj &#205;           > E8 71 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001CD196A4650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001CD196A70B0, 16 bytes long.
 Data: <&#192;qj &#205;           > C0 71 6A 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001CD196A71C0, 992 bytes long.
 Data: <&#176;pj &#205;   PFj &#205;   > B0 70 6A 19 CD 01 00 00 50 46 6A 19 CD 01 00 00 
{83} normal block at 0x000001CD1968F870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001CD1969DA90, 16 bytes long.
 Data: < &#239;h &#205;           > 10 EF 68 19 CD 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001CD1968EF10, 40 bytes long.
 Data: < &#218;i &#205;   p&#248;h &#205;   > 90 DA 69 19 CD 01 00 00 70 F8 68 19 CD 01 00 00 
{60} normal block at 0x000001CD1969E080, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CD1969DB80, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CD1969D9F0, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CD1969E620, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CD1969DE00, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CD1969E1C0, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CD1969DA40, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001CD1969E6C0, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001CD1969E3F0, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001CD1969DFE0, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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