Task 38679181

Name test_222-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9974_0
Workunit 31620972
Created 26 Oct 2026, 19:42:30 UTC
Sent 26 Oct 2026, 19:42:36 UTC
Report deadline 31 Oct 2026, 19:42:36 UTC
Received 26 Oct 2026, 20:37:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 27 min 8 sec
CPU time 25 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.81 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:11:15 (53112): wrapper (7.9.26016): starting
15:11:15 (53112): 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
15:11:16 (53112): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:11:16 (53112): 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
15:37:26 (53112): C:/Windows/system32/cmd.exe exited; CPU time 1512.515625
15:37:26 (53112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 41537661 bytes.
Dumping objects ->
{3835258} normal block at 0x0000026CCDBDC420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000026CCBF94520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000026CCBF94A60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000026CCBF94980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000026CCBF944B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000026CCDC25930, 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) : {3835170} normal block at 0x0000026CCBF8F710, 8 bytes long.
 Data: <  &#246;&#203;l   > 00 00 F6 CB 6C 02 00 00 
{3833959} normal block at 0x0000026CCBF90200, 8 bytes long.
 Data: <p&#162;&#195;&#205;l   > 70 A2 C3 CD 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026CCBF90D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026CCBF86040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000026CCBF958A0, 16 bytes long.
 Data: < S&#249;&#203;l           > 98 53 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026CCBF958F0, 16 bytes long.
 Data: <pS&#249;&#203;l           > 70 53 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026CCBF8EF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000026CCBF95AD0, 16 bytes long.
 Data: <HS&#249;&#203;l           > 48 53 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026CCBF95FD0, 16 bytes long.
 Data: < S&#249;&#203;l           > 20 53 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026CCBF95C60, 16 bytes long.
 Data: <&#248;R&#249;&#203;l           > F8 52 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026CCBF959E0, 16 bytes long.
 Data: <&#208;R&#249;&#203;l           > D0 52 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026CCBF94750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000026CCBF95580, 16 bytes long.
 Data: <8&#142;&#248;&#203;l           > 38 8E F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026CCBF8EF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000026CCBF95710, 16 bytes long.
 Data: < &#142;&#248;&#203;l           > 10 8E F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026CCBF95A80, 16 bytes long.
 Data: <&#232; &#248;&#203;l           > E8 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026CCBF96390, 16 bytes long.
 Data: <&#192; &#248;&#203;l           > C0 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026CCBF956C0, 16 bytes long.
 Data: <  &#248;&#203;l           > 98 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026CCBF95670, 16 bytes long.
 Data: <p &#248;&#203;l           > 70 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026CCBF95620, 16 bytes long.
 Data: <H &#248;&#203;l           > 48 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026CCBF8ECF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000026CCBF95B70, 16 bytes long.
 Data: <  &#248;&#203;l           > 20 8D F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026CCBF88D20, 320 bytes long.
 Data: <p[&#249;&#203;l   &#240;&#236;&#248;&#203;l   > 70 5B F9 CB 6C 02 00 00 F0 EC F8 CB 6C 02 00 00 
{275} normal block at 0x0000026CCBF96070, 16 bytes long.
 Data: <&#176;R&#249;&#203;l           > B0 52 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026CCBF95E90, 16 bytes long.
 Data: < R&#249;&#203;l           > 88 52 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026CCBF8EE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000026CCBF95800, 16 bytes long.
 Data: <`R&#249;&#203;l           > 60 52 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026CCBF8E570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000026CCBF96340, 16 bytes long.
 Data: <&#168;Q&#249;&#203;l           > A8 51 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026CCBF95850, 16 bytes long.
 Data: < Q&#249;&#203;l           > 80 51 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026CCBF95A30, 16 bytes long.
 Data: <XQ&#249;&#203;l           > 58 51 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026CCBF95EE0, 16 bytes long.
 Data: <0Q&#249;&#203;l           > 30 51 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026CCBF95990, 16 bytes long.
 Data: < Q&#249;&#203;l           > 08 51 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026CCBF90160, 16 bytes long.
 Data: <&#224;P&#249;&#203;l           > E0 50 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026CCBF900C0, 16 bytes long.
 Data: < E&#249;&#203;l           > 90 45 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026CCBF94590, 40 bytes long.
 Data: <&#192; &#249;&#203;l   0Y&#194;&#205;l   > C0 00 F9 CB 6C 02 00 00 30 59 C2 CD 6C 02 00 00 
{261} normal block at 0x0000026CCBF90070, 16 bytes long.
 Data: <&#192;P&#249;&#203;l           > C0 50 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026CCBF90020, 16 bytes long.
 Data: < P&#249;&#203;l           > 98 50 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026CCBF8E630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000026CCBF8FBC0, 16 bytes long.
 Data: <pP&#249;&#203;l           > 70 50 F9 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026CCBF95070, 992 bytes long.
 Data: <&#192;&#251;&#248;&#203;l   0&#230;&#248;&#203;l   > C0 FB F8 CB 6C 02 00 00 30 E6 F8 CB 6C 02 00 00 
{93} normal block at 0x0000026CCBF8EBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000026CCBF8F670, 16 bytes long.
 Data: <p&#228;&#248;&#203;l           > 70 E4 F8 CB 6C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000026CCBF8E470, 40 bytes long.
 Data: <p&#246;&#248;&#203;l   &#208;&#235;&#248;&#203;l   > 70 F6 F8 CB 6C 02 00 00 D0 EB F8 CB 6C 02 00 00 
{70} normal block at 0x0000026CCBF8FE90, 16 bytes long.
 Data: < &#234;&#151;&#197;&#247;           > 80 EA 97 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026CCBF8F620, 16 bytes long.
 Data: <@&#233;&#151;&#197;&#247;           > 40 E9 97 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026CCBF8FD50, 16 bytes long.
 Data: <&#248;W&#148;&#197;&#247;           > F8 57 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026CCBF90110, 16 bytes long.
 Data: <&#216;W&#148;&#197;&#247;           > D8 57 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026CCBF902A0, 16 bytes long.
 Data: <P &#148;&#197;&#247;           > 50 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026CCBF8FA80, 16 bytes long.
 Data: <0 &#148;&#197;&#247;           > 30 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026CCBF8FE40, 16 bytes long.
 Data: <&#224; &#148;&#197;&#247;           > E0 02 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026CCBF8F9E0, 16 bytes long.
 Data: <  &#148;&#197;&#247;           > 10 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026CCBF8F990, 16 bytes long.
 Data: <p &#148;&#197;&#247;           > 70 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026CCBF90390, 16 bytes long.
 Data: < &#192;&#146;&#197;&#247;           > 18 C0 92 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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