Task 38698434

Name test_8-GPUGRID_TEST_ATM_20261023-0-1-RND7786_2
Workunit 31590235
Created 2 Nov 2026, 14:13:12 UTC
Sent 2 Nov 2026, 14:13:13 UTC
Report deadline 7 Nov 2026, 14:13:13 UTC
Received 2 Nov 2026, 14:32:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 18 min 7 sec
CPU time 13 min 55 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.14 MB
Peak swap size 13.16 GB
Peak disk usage 3.53 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:14:06 (26616): wrapper (7.9.26016): starting
06:14:06 (26616): 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
06:14:12 (26616): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:14:12 (26616): 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\33\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\33\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
06:31:25 (26616): C:/Windows/system32/cmd.exe exited; CPU time 835.578125
06:31:25 (26616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 bytes in 8 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: 11578359 bytes.
Dumping objects ->
{3835568} normal block at 0x000001CE44F1D3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x000001CE431B4AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835546} normal block at 0x000001CE431B4A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835535} normal block at 0x000001CE431B4A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001CE431B4760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835493} normal block at 0x000001CE44F6BC80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835482} normal block at 0x000001CE44E90C70, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835478} normal block at 0x000001CE431AF2A0, 8 bytes long.
 Data: <   C&#206;   > 00 00 13 43 CE 01 00 00 
{3834697} normal block at 0x000001CE44E90810, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001CE431AEC10, 8 bytes long.
 Data: <&#208;? C&#206;   > D0 3F 1B 43 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CE431B1450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CE431A6880, 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 0x000001CE431B5620, 16 bytes long.
 Data: <&#232;e C&#206;           > E8 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CE431B5F30, 16 bytes long.
 Data: <&#192;e C&#206;           > C0 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CE431B0240, 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 0x000001CE431B5A30, 16 bytes long.
 Data: < e C&#206;           > 98 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CE431B6250, 16 bytes long.
 Data: <pe C&#206;           > 70 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CE431B5EE0, 16 bytes long.
 Data: <He C&#206;           > 48 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CE431B5670, 16 bytes long.
 Data: < e C&#206;           > 20 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CE431B4840, 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 0x000001CE431B6110, 16 bytes long.
 Data: <H  C&#206;           > 48 90 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CE431AFB20, 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 0x000001CE431B61B0, 16 bytes long.
 Data: <   C&#206;           > 20 90 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CE431B5DF0, 16 bytes long.
 Data: <&#248;  C&#206;           > F8 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CE431B5D50, 16 bytes long.
 Data: <&#208;  C&#206;           > D0 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CE431B5AD0, 16 bytes long.
 Data: <&#168;  C&#206;           > A8 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CE431B5D00, 16 bytes long.
 Data: <   C&#206;           > 80 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CE431B60C0, 16 bytes long.
 Data: <X  C&#206;           > 58 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CE431B0600, 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 0x000001CE431B6200, 16 bytes long.
 Data: <0  C&#206;           > 30 8F 1A 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CE431A8F30, 320 bytes long.
 Data: < b C&#206;      C&#206;   > 00 62 1B 43 CE 01 00 00 00 06 1B 43 CE 01 00 00 
{275} normal block at 0x000001CE431B5FD0, 16 bytes long.
 Data: < e C&#206;           > 00 65 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CE431B5530, 16 bytes long.
 Data: <&#216;d C&#206;           > D8 64 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CE431AFA00, 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 0x000001CE431B54E0, 16 bytes long.
 Data: <&#176;d C&#206;           > B0 64 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CE431B01E0, 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 0x000001CE431B5F80, 16 bytes long.
 Data: <&#248;c C&#206;           > F8 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CE431B6160, 16 bytes long.
 Data: <&#208;c C&#206;           > D0 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CE431B5C10, 16 bytes long.
 Data: <&#168;c C&#206;           > A8 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CE431B5580, 16 bytes long.
 Data: < c C&#206;           > 80 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CE431B53A0, 16 bytes long.
 Data: <Xc C&#206;           > 58 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CE431B5300, 16 bytes long.
 Data: <0c C&#206;           > 30 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CE431B5440, 16 bytes long.
 Data: <&#192;K C&#206;           > C0 4B 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CE431B4BC0, 40 bytes long.
 Data: <@T C&#206;    &#188;&#246;D&#206;   > 40 54 1B 43 CE 01 00 00 80 BC F6 44 CE 01 00 00 
{261} normal block at 0x000001CE431B56C0, 16 bytes long.
 Data: < c C&#206;           > 10 63 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CE431B53F0, 16 bytes long.
 Data: <&#232;b C&#206;           > E8 62 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CE431AFF40, 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 0x000001CE431B5490, 16 bytes long.
 Data: <&#192;b C&#206;           > C0 62 1B 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CE431B62C0, 992 bytes long.
 Data: < T C&#206;   @&#255; C&#206;   > 90 54 1B 43 CE 01 00 00 40 FF 1A 43 CE 01 00 00 
{93} normal block at 0x000001CE431B06C0, 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 0x000001CE431AEDA0, 16 bytes long.
 Data: <&#240;&#193; C&#206;           > F0 C1 19 43 CE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001CE4319C1F0, 40 bytes long.
 Data: <&#160;&#237; C&#206;   &#192;  C&#206;   > A0 ED 1A 43 CE 01 00 00 C0 06 1B 43 CE 01 00 00 
{70} normal block at 0x000001CE431AF660, 16 bytes long.
 Data: < &#234;Cx&#246;           > 80 EA 43 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CE431AEF80, 16 bytes long.
 Data: <@&#233;Cx&#246;           > 40 E9 43 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CE431AF570, 16 bytes long.
 Data: <&#248;W@x&#246;           > F8 57 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CE431AF200, 16 bytes long.
 Data: <&#216;W@x&#246;           > D8 57 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CE431AEB70, 16 bytes long.
 Data: <P @x&#246;           > 50 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CE431AE940, 16 bytes long.
 Data: <0 @x&#246;           > 30 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CE431AF5C0, 16 bytes long.
 Data: <&#224; @x&#246;           > E0 02 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CE431AEE90, 16 bytes long.
 Data: <  @x&#246;           > 10 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CE431AED50, 16 bytes long.
 Data: <p @x&#246;           > 70 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CE431AEB20, 16 bytes long.
 Data: < &#192;>x&#246;           > 18 C0 3E 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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