Task 38675902

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2094_0
Workunit 31617848
Created 26 Oct 2026, 9:40:45 UTC
Sent 26 Oct 2026, 9:40:48 UTC
Report deadline 31 Oct 2026, 9:40:48 UTC
Received 26 Oct 2026, 11:11:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 9 sec
CPU time 41 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.11 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:26:57 (33024): wrapper (7.9.26016): starting
11:26:57 (33024): 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
11:26:59 (33024): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:26:59 (33024): 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\5\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\5\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
12:10:45 (33024): C:/Windows/system32/cmd.exe exited; CPU time 2475.328125
12:10:45 (33024): 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: 52476719 bytes.
Dumping objects ->
{3835277} normal block at 0x00000236373BE2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000236373BDFD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x00000236373BEC10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x00000236373BE510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000023637398150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000023638F719A0, 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) : {3835189} normal block at 0x000002363738C9D0, 8 bytes long.
 Data: <  &#130;76   > 00 00 82 37 36 02 00 00 
{3833985} normal block at 0x000002363738BFD0, 8 bytes long.
 Data: <@p 96   > 40 70 04 39 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000023637391650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000023637388060, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x00000236373990C0, 16 bytes long.
 Data: <X&#155;976           > 58 9B 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000023637398EE0, 16 bytes long.
 Data: <0&#155;976           > 30 9B 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000023637393A70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000023637398A30, 16 bytes long.
 Data: < &#155;976           > 08 9B 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000236373992F0, 16 bytes long.
 Data: <&#224;&#154;976           > E0 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000023637398DA0, 16 bytes long.
 Data: <&#184;&#154;976           > B8 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023637399020, 16 bytes long.
 Data: < &#154;976           > 90 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023637398230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x00000236373988F0, 16 bytes long.
 Data: <8 876           > 38 07 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023637393EF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000023637399390, 16 bytes long.
 Data: <  876           > 10 07 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023637398D50, 16 bytes long.
 Data: <&#232; 876           > E8 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023637399250, 16 bytes long.
 Data: <&#192; 876           > C0 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236373989E0, 16 bytes long.
 Data: <  876           > 98 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023637398B70, 16 bytes long.
 Data: <p 876           > 70 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023637398DF0, 16 bytes long.
 Data: <H 876           > 48 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000236373940D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000023637398D00, 16 bytes long.
 Data: <  876           > 20 06 38 37 36 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023637380620, 320 bytes long.
 Data: <  976   &#208;@976   > 00 8D 39 37 36 02 00 00 D0 40 39 37 36 02 00 00 
{288} normal block at 0x0000023637398850, 16 bytes long.
 Data: <p&#154;976           > 70 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023637398BC0, 16 bytes long.
 Data: <H&#154;976           > 48 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023637393D70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x00000236373995C0, 16 bytes long.
 Data: < &#154;976           > 20 9A 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023637393E90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000023637398E90, 16 bytes long.
 Data: <h 976           > 68 99 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023637398B20, 16 bytes long.
 Data: <@ 976           > 40 99 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023637398E40, 16 bytes long.
 Data: <  976           > 18 99 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023637399070, 16 bytes long.
 Data: <&#240; 976           > F0 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023637398CB0, 16 bytes long.
 Data: <&#200; 976           > C8 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023637398C60, 16 bytes long.
 Data: <&#160; 976           > A0 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236373988A0, 16 bytes long.
 Data: <&#240;&#131;976           > F0 83 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000236373983F0, 40 bytes long.
 Data: <&#160; 976   &#160; &#247;86   > A0 88 39 37 36 02 00 00 A0 19 F7 38 36 02 00 00 
{274} normal block at 0x0000023637398800, 16 bytes long.
 Data: <  976           > 80 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236373987B0, 16 bytes long.
 Data: <X 976           > 58 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023637394190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000023637398FD0, 16 bytes long.
 Data: <0 976           > 30 98 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023637399830, 992 bytes long.
 Data: <&#208; 976    A976   > D0 8F 39 37 36 02 00 00 90 41 39 37 36 02 00 00 
{106} normal block at 0x00000236373942B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002363738C660, 16 bytes long.
 Data: <&#192; 976           > C0 81 39 37 36 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000236373981C0, 40 bytes long.
 Data: <`&#198;876   &#176;B976   > 60 C6 38 37 36 02 00 00 B0 42 39 37 36 02 00 00 
{83} normal block at 0x000002363738C200, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002363738BE90, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002363738C2F0, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002363738C0C0, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002363738C3E0, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002363738C890, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002363738C8E0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002363738C390, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002363738C070, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002363738C7F0, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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