Task 38677983

Name test_304-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4977_0
Workunit 31619828
Created 26 Oct 2026, 16:01:07 UTC
Sent 26 Oct 2026, 16:01:13 UTC
Report deadline 31 Oct 2026, 16:01:13 UTC
Received 26 Oct 2026, 16:41:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 25 sec
CPU time 14 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.21 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:25:54 (41272): wrapper (7.9.26016): starting
12:25:54 (41272): 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
12:25:55 (41272): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:55 (41272): 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
12:40:39 (41272): C:/Windows/system32/cmd.exe exited; CPU time 875.781250
12:40:39 (41272): 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: 21229839 bytes.
Dumping objects ->
{3835501} normal block at 0x000001BB1CBC2890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001BB1CBC27B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001BB1CBC2970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000001BB1CBC26D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001BB1CBC2740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000001BB1E90A5B0, 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) : {3835413} normal block at 0x000001BB1CBBCDF0, 8 bytes long.
 Data: <  &#183; &#187;   > 00 00 B7 1C BB 01 00 00 
{3833939} normal block at 0x000001BB1CBBC760, 8 bytes long.
 Data: <&#176; &#158; &#187;   > B0 20 9E 1E BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001BB1CBBDEF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BB1CBB5A50, 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 0x000001BB1CBC3090, 16 bytes long.
 Data: <&#168;.&#188; &#187;           > A8 2E BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BB1CBC3680, 16 bytes long.
 Data: < .&#188; &#187;           > 80 2E BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BB1CBC1770, 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 0x000001BB1CBC3CC0, 16 bytes long.
 Data: <X.&#188; &#187;           > 58 2E BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BB1CBC38B0, 16 bytes long.
 Data: <0.&#188; &#187;           > 30 2E BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BB1CBC3540, 16 bytes long.
 Data: < .&#188; &#187;           > 08 2E BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BB1CBC3220, 16 bytes long.
 Data: <&#224;-&#188; &#187;           > E0 2D BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BB1CBC24A0, 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 0x000001BB1CBC34A0, 16 bytes long.
 Data: < &#231;&#186; &#187;           > 18 E7 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BB1CBC1BF0, 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 0x000001BB1CBC3C70, 16 bytes long.
 Data: <&#240;&#230;&#186; &#187;           > F0 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BB1CBC39F0, 16 bytes long.
 Data: <&#200;&#230;&#186; &#187;           > C8 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BB1CBC31D0, 16 bytes long.
 Data: <&#160;&#230;&#186; &#187;           > A0 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BB1CBC3720, 16 bytes long.
 Data: <x&#230;&#186; &#187;           > 78 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BB1CBC3130, 16 bytes long.
 Data: <P&#230;&#186; &#187;           > 50 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BB1CBC39A0, 16 bytes long.
 Data: <(&#230;&#186; &#187;           > 28 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BB1CBC18F0, 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 0x000001BB1CBC3360, 16 bytes long.
 Data: < &#230;&#186; &#187;           > 00 E6 BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BB1CBAE600, 320 bytes long.
 Data: <`3&#188; &#187;   &#240; &#188; &#187;   > 60 33 BC 1C BB 01 00 00 F0 18 BC 1C BB 01 00 00 
{265} normal block at 0x000001BB1CBC33B0, 16 bytes long.
 Data: <&#192;-&#188; &#187;           > C0 2D BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BB1CBC3900, 16 bytes long.
 Data: < -&#188; &#187;           > 98 2D BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BB1CBC2190, 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 0x000001BB1CBC3C20, 16 bytes long.
 Data: <p-&#188; &#187;           > 70 2D BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BB1CBC13B0, 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 0x000001BB1CBC3EA0, 16 bytes long.
 Data: <&#184;,&#188; &#187;           > B8 2C BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BB1CBC3950, 16 bytes long.
 Data: < ,&#188; &#187;           > 90 2C BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BB1CBC3BD0, 16 bytes long.
 Data: <h,&#188; &#187;           > 68 2C BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BB1CBC37C0, 16 bytes long.
 Data: <@,&#188; &#187;           > 40 2C BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BB1CBBCD00, 16 bytes long.
 Data: < ,&#188; &#187;           > 18 2C BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BB1CBBC800, 16 bytes long.
 Data: <&#240;+&#188; &#187;           > F0 2B BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001BB1CBBCB20, 16 bytes long.
 Data: <0$&#188; &#187;           > 30 24 BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001BB1CBC2430, 40 bytes long.
 Data: < &#203;&#187; &#187;   &#176;&#165;  &#187;   > 20 CB BB 1C BB 01 00 00 B0 A5 90 1E BB 01 00 00 
{251} normal block at 0x000001BB1CBBC440, 16 bytes long.
 Data: <&#208;+&#188; &#187;           > D0 2B BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001BB1CBBC7B0, 16 bytes long.
 Data: <&#168;+&#188; &#187;           > A8 2B BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001BB1CBC1FB0, 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 0x000001BB1CBBCDA0, 16 bytes long.
 Data: < +&#188; &#187;           > 80 2B BC 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001BB1CBC2B80, 992 bytes long.
 Data: <&#160;&#205;&#187; &#187;   &#176; &#188; &#187;   > A0 CD BB 1C BB 01 00 00 B0 1F BC 1C BB 01 00 00 
{83} normal block at 0x000001BB1CBC1C50, 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 0x000001BB1CBBC670, 16 bytes long.
 Data: <&#208;&#207;&#186; &#187;           > D0 CF BA 1C BB 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001BB1CBACFD0, 40 bytes long.
 Data: <p&#198;&#187; &#187;   P &#188; &#187;   > 70 C6 BB 1C BB 01 00 00 50 1C BC 1C BB 01 00 00 
{60} normal block at 0x000001BB1CBBCC60, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BB1CBBC530, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BB1CBBCEE0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BB1CBBC850, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001BB1CBBC9E0, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001BB1CBBCAD0, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001BB1CBBC620, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001BB1CBBD070, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001BB1CBBCF30, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001BB1CBBC8F0, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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