Task 38688227

Name test_457-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3785_0
Workunit 31629587
Created 28 Oct 2026, 12:32:48 UTC
Sent 28 Oct 2026, 12:32:51 UTC
Report deadline 2 Nov 2026, 12:32:51 UTC
Received 28 Oct 2026, 14:42:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 9 min 56 sec
CPU time 1 hours 6 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 643.98 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:32:02 (1992): wrapper (7.9.26016): starting
08:32:02 (1992): 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
08:32:03 (1992): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:32:03 (1992): 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\8\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\8\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
09:41:53 (1992): C:/Windows/system32/cmd.exe exited; CPU time 4012.109375
09:41:53 (1992): 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: 50036283 bytes.
Dumping objects ->
{3835176} normal block at 0x000001FBBAB369B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001FBBAB36710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001FBBAB36860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x000001FBBAB36A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x000001FBBAB36A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x000001FBBC6525C0, 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) : {3835088} normal block at 0x000001FBBAB07BC0, 8 bytes long.
 Data: <  &#169;&#186;&#251;   > 00 00 A9 BA FB 01 00 00 
{3833945} normal block at 0x000001FBBAB08610, 8 bytes long.
 Data: <&#240;&k&#188;&#251;   > F0 26 6B BC FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001FBBAB12220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FBBAAFB670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001FBBAB132B0, 16 bytes long.
 Data: < C&#177;&#186;&#251;           > 18 43 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FBBAB13800, 16 bytes long.
 Data: <&#240;B&#177;&#186;&#251;           > F0 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FBBAB0E340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001FBBAB13260, 16 bytes long.
 Data: <&#200;B&#177;&#186;&#251;           > C8 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FBBAB13530, 16 bytes long.
 Data: <&#160;B&#177;&#186;&#251;           > A0 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FBBAB13030, 16 bytes long.
 Data: <xB&#177;&#186;&#251;           > 78 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FBBAB13DA0, 16 bytes long.
 Data: <PB&#177;&#186;&#251;           > 50 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FBBAB0C630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001FBBAB13490, 16 bytes long.
 Data: <X[&#175;&#186;&#251;           > 58 5B AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FBBAB0D920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001FBBAB13080, 16 bytes long.
 Data: <0[&#175;&#186;&#251;           > 30 5B AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FBBAB13E90, 16 bytes long.
 Data: < [&#175;&#186;&#251;           > 08 5B AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FBBAB13F30, 16 bytes long.
 Data: <&#224;Z&#175;&#186;&#251;           > E0 5A AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FBBAB13440, 16 bytes long.
 Data: <&#184;Z&#175;&#186;&#251;           > B8 5A AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FBBAB139E0, 16 bytes long.
 Data: < Z&#175;&#186;&#251;           > 90 5A AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FBBAB13D00, 16 bytes long.
 Data: <hZ&#175;&#186;&#251;           > 68 5A AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FBBAB0E700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001FBBAB13E40, 16 bytes long.
 Data: <@Z&#175;&#186;&#251;           > 40 5A AF BA FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FBBAAF5A40, 320 bytes long.
 Data: <@>&#177;&#186;&#251;    &#231;&#176;&#186;&#251;   > 40 3E B1 BA FB 01 00 00 00 E7 B0 BA FB 01 00 00 
{268} normal block at 0x000001FBBAB13B70, 16 bytes long.
 Data: <0B&#177;&#186;&#251;           > 30 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FBBAB13C60, 16 bytes long.
 Data: < B&#177;&#186;&#251;           > 08 42 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FBBAB0DD40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001FBBAB13580, 16 bytes long.
 Data: <&#224;A&#177;&#186;&#251;           > E0 41 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FBBAB0E2E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001FBBAB13210, 16 bytes long.
 Data: <(A&#177;&#186;&#251;           > 28 41 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FBBAB13120, 16 bytes long.
 Data: < A&#177;&#186;&#251;           > 00 41 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FBBAB13EE0, 16 bytes long.
 Data: <&#216;@&#177;&#186;&#251;           > D8 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FBBAB133F0, 16 bytes long.
 Data: <&#176;@&#177;&#186;&#251;           > B0 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FBBAB131C0, 16 bytes long.
 Data: < @&#177;&#186;&#251;           > 88 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FBBAB13F80, 16 bytes long.
 Data: <`@&#177;&#186;&#251;           > 60 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FBBAB13670, 16 bytes long.
 Data: <`&#200;&#176;&#186;&#251;           > 60 C8 B0 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FBBAB0C860, 40 bytes long.
 Data: <p6&#177;&#186;&#251;   &#192;%e&#188;&#251;   > 70 36 B1 BA FB 01 00 00 C0 25 65 BC FB 01 00 00 
{254} normal block at 0x000001FBBAB13DF0, 16 bytes long.
 Data: <@@&#177;&#186;&#251;           > 40 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FBBAB13B20, 16 bytes long.
 Data: < @&#177;&#186;&#251;           > 18 40 B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FBBAB0E0A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001FBBAB13620, 16 bytes long.
 Data: <&#240;?&#177;&#186;&#251;           > F0 3F B1 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001FBBAB13FF0, 992 bytes long.
 Data: < 6&#177;&#186;&#251;   &#160;&#224;&#176;&#186;&#251;   > 20 36 B1 BA FB 01 00 00 A0 E0 B0 BA FB 01 00 00 
{86} normal block at 0x000001FBBAB0DF80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001FBBAB083E0, 16 bytes long.
 Data: <&#208;&#200;&#176;&#186;&#251;           > D0 C8 B0 BA FB 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001FBBAB0C8D0, 40 bytes long.
 Data: <&#224;&#131;&#176;&#186;&#251;    &#223;&#176;&#186;&#251;   > E0 83 B0 BA FB 01 00 00 80 DF B0 BA FB 01 00 00 
{63} normal block at 0x000001FBBAB08570, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FBBAB085C0, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FBBAB07B70, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FBBAB08750, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FBBAB08390, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FBBAB07EE0, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FBBAB084D0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FBBAB08430, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FBBAB07F30, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001FBBAB08520, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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