Task 38697861

Name test_725-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9611_0
Workunit 31638408
Created 1 Nov 2026, 22:55:05 UTC
Sent 1 Nov 2026, 22:55:07 UTC
Report deadline 6 Nov 2026, 22:55:07 UTC
Received 1 Nov 2026, 23:52:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 56 min 19 sec
CPU time 50 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.14 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
23:57:05 (13848): wrapper (7.9.26016): starting
23:57:05 (13848): 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
23:57:07 (13848): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:57:07 (13848): 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\9\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\9\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
00:51:37 (13848): C:/Windows/system32/cmd.exe exited; CPU time 3045.640625
00:51:37 (13848): 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: 36910279 bytes.
Dumping objects ->
{3835245} normal block at 0x0000023AF05A1440, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000023AF05A10C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023AF05A1830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000023AF05A1E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000023AF05A11A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000023AF064B5A0, 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) : {3835157} normal block at 0x0000023AEEBA0340, 8 bytes long.
 Data: <  F&#240;:   > 00 00 46 F0 3A 02 00 00 
{3833945} normal block at 0x0000023AEEBA0110, 8 bytes long.
 Data: <&#192;mj&#240;:   > C0 6D 6A F0 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023AEEBA06F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023AEEB85C40, 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 0x0000023AEEB96BA0, 16 bytes long.
 Data: <  &#186;&#238;:           > 18 1D BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023AEEB968D0, 16 bytes long.
 Data: <&#240; &#186;&#238;:           > F0 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023AEEB9C920, 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 0x0000023AEEB96510, 16 bytes long.
 Data: <&#200; &#186;&#238;:           > C8 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023AEEB96B00, 16 bytes long.
 Data: <&#160; &#186;&#238;:           > A0 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023AEEB964C0, 16 bytes long.
 Data: <x &#186;&#238;:           > 78 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023AEEB96920, 16 bytes long.
 Data: <P &#186;&#238;:           > 50 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023AEEB9A970, 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 0x0000023AEEB96970, 16 bytes long.
 Data: <&#216;[&#184;&#238;:           > D8 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023AEEB9BD20, 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 0x0000023AEEB96420, 16 bytes long.
 Data: <&#176;[&#184;&#238;:           > B0 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023AEEB96880, 16 bytes long.
 Data: < [&#184;&#238;:           > 88 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023AEEB963D0, 16 bytes long.
 Data: <`[&#184;&#238;:           > 60 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023AEEB96060, 16 bytes long.
 Data: <8[&#184;&#238;:           > 38 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023AEEBA02A0, 16 bytes long.
 Data: < [&#184;&#238;:           > 10 5B B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023AEEBA0160, 16 bytes long.
 Data: <&#232;Z&#184;&#238;:           > E8 5A B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023AEEB9C7A0, 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 0x0000023AEEBA0070, 16 bytes long.
 Data: <&#192;Z&#184;&#238;:           > C0 5A B8 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023AEEB85AC0, 320 bytes long.
 Data: <p &#186;&#238;:   &#160;&#199;&#185;&#238;:   > 70 00 BA EE 3A 02 00 00 A0 C7 B9 EE 3A 02 00 00 
{268} normal block at 0x0000023AEEBA0250, 16 bytes long.
 Data: <0 &#186;&#238;:           > 30 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023AEEBA00C0, 16 bytes long.
 Data: <  &#186;&#238;:           > 08 1C BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023AEEB9C620, 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 0x0000023AEEBA0020, 16 bytes long.
 Data: <&#224; &#186;&#238;:           > E0 1B BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023AEEB9C140, 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 0x0000023AEEB9FFD0, 16 bytes long.
 Data: <( &#186;&#238;:           > 28 1B BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023AEEBA03E0, 16 bytes long.
 Data: <  &#186;&#238;:           > 00 1B BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023AEEBA02F0, 16 bytes long.
 Data: <&#216; &#186;&#238;:           > D8 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023AEEB9FE40, 16 bytes long.
 Data: <&#176; &#186;&#238;:           > B0 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023AEEBA0200, 16 bytes long.
 Data: <  &#186;&#238;:           > 88 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023AEEB9FF80, 16 bytes long.
 Data: <` &#186;&#238;:           > 60 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023AEEB9FF30, 16 bytes long.
 Data: <`&#173;&#185;&#238;:           > 60 AD B9 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023AEEB9AD60, 40 bytes long.
 Data: <0&#255;&#185;&#238;:   &#160;&#181;d&#240;:   > 30 FF B9 EE 3A 02 00 00 A0 B5 64 F0 3A 02 00 00 
{254} normal block at 0x0000023AEEBA01B0, 16 bytes long.
 Data: <@ &#186;&#238;:           > 40 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023AEEBA0390, 16 bytes long.
 Data: <  &#186;&#238;:           > 18 1A BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023AEEB9BC60, 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 0x0000023AEEBA04D0, 16 bytes long.
 Data: <&#240; &#186;&#238;:           > F0 19 BA EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023AEEBA19F0, 992 bytes long.
 Data: <&#208; &#186;&#238;:   `&#188;&#185;&#238;:   > D0 04 BA EE 3A 02 00 00 60 BC B9 EE 3A 02 00 00 
{86} normal block at 0x0000023AEEB9C3E0, 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 0x0000023AEEB961F0, 16 bytes long.
 Data: < &#172;&#185;&#238;:           > 10 AC B9 EE 3A 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023AEEB9AC10, 40 bytes long.
 Data: <&#240;a&#185;&#238;:   &#224;&#195;&#185;&#238;:   > F0 61 B9 EE 3A 02 00 00 E0 C3 B9 EE 3A 02 00 00 
{63} normal block at 0x0000023AEEB96C40, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023AEEB95E80, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023AEEB96100, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023AEEB966A0, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023AEEB95ED0, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023AEEB960B0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023AEEB95D40, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023AEEB967E0, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023AEEB96790, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023AEEB96330, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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