Task 38688322

Name test_176-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7215_0
Workunit 31629677
Created 28 Oct 2026, 13:08:19 UTC
Sent 28 Oct 2026, 13:08:29 UTC
Report deadline 2 Nov 2026, 13:08:29 UTC
Received 28 Oct 2026, 13:42:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 20 sec
CPU time 30 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.96 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:10:12 (17144): wrapper (7.9.26016): starting
14:10:12 (17144): 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
14:10:14 (17144): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:10:14 (17144): 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\6\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\6\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
14:42:08 (17144): C:/Windows/system32/cmd.exe exited; CPU time 1839.031250
14:42:08 (17144): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25578889 bytes.
Dumping objects ->
{3835311} normal block at 0x000001F96267A2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001F9626796A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001F962654870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001F962654800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001F9626546B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001F964259640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001F9626B9AF0, 141 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) : {3835222} normal block at 0x000001F96264EE30, 8 bytes long.
 Data: <  &#167;b&#249;   > 00 00 A7 62 F9 01 00 00 
{3834575} normal block at 0x000001F9626BA240, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001F96264E8E0, 8 bytes long.
 Data: <&#176;D.d&#249;   > B0 44 2E 64 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F962650550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F96263F4E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F962655E30, 16 bytes long.
 Data: < ceb&#249;           > 08 63 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F962655250, 16 bytes long.
 Data: <&#224;beb&#249;           > E0 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F96264FDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F962655200, 16 bytes long.
 Data: <&#184;beb&#249;           > B8 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F962655CF0, 16 bytes long.
 Data: < beb&#249;           > 90 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F962655E80, 16 bytes long.
 Data: <hbeb&#249;           > 68 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F962655110, 16 bytes long.
 Data: <@beb&#249;           > 40 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F962654950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F9626556B0, 16 bytes long.
 Data: <  db&#249;           > 18 01 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F96264F6F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F9626551B0, 16 bytes long.
 Data: <&#240; db&#249;           > F0 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F962655AC0, 16 bytes long.
 Data: <&#200; db&#249;           > C8 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F962655430, 16 bytes long.
 Data: <&#160; db&#249;           > A0 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F962655A70, 16 bytes long.
 Data: <x db&#249;           > 78 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F962655390, 16 bytes long.
 Data: <P db&#249;           > 50 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F962655700, 16 bytes long.
 Data: <( db&#249;           > 28 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F96264F1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F962655340, 16 bytes long.
 Data: <  db&#249;           > 00 00 64 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F962640000, 320 bytes long.
 Data: <@Seb&#249;   &#176;&#241;db&#249;   > 40 53 65 62 F9 01 00 00 B0 F1 64 62 F9 01 00 00 
{274} normal block at 0x000001F962655CA0, 16 bytes long.
 Data: < beb&#249;           > 20 62 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F962655C50, 16 bytes long.
 Data: <&#248;aeb&#249;           > F8 61 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F96264F030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F962655750, 16 bytes long.
 Data: <&#208;aeb&#249;           > D0 61 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F96264FD50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F962655B10, 16 bytes long.
 Data: < aeb&#249;           > 18 61 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9626552F0, 16 bytes long.
 Data: <&#240;`eb&#249;           > F0 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F9626555C0, 16 bytes long.
 Data: <&#200;`eb&#249;           > C8 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F962655570, 16 bytes long.
 Data: <&#160;`eb&#249;           > A0 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F962655C00, 16 bytes long.
 Data: <x`eb&#249;           > 78 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F962655A20, 16 bytes long.
 Data: <P`eb&#249;           > 50 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F962655B60, 16 bytes long.
 Data: <&#224;Heb&#249;           > E0 48 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F9626548E0, 40 bytes long.
 Data: <`[eb&#249;   @&#150;%d&#249;   > 60 5B 65 62 F9 01 00 00 40 96 25 64 F9 01 00 00 
{260} normal block at 0x000001F962655020, 16 bytes long.
 Data: <0`eb&#249;           > 30 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F962655660, 16 bytes long.
 Data: < `eb&#249;           > 08 60 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F96264F210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F9626550C0, 16 bytes long.
 Data: <&#224;_eb&#249;           > E0 5F 65 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F962655FE0, 992 bytes long.
 Data: <&#192;Peb&#249;    &#242;db&#249;   > C0 50 65 62 F9 01 00 00 10 F2 64 62 F9 01 00 00 
{92} normal block at 0x000001F96264FF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F96264E7F0, 16 bytes long.
 Data: <&#160;&#210;cb&#249;           > A0 D2 63 62 F9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F96263D2A0, 40 bytes long.
 Data: <&#240;&#231;db&#249;   0&#255;db&#249;   > F0 E7 64 62 F9 01 00 00 30 FF 64 62 F9 01 00 00 
{69} normal block at 0x000001F96264E6B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F96264EBB0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F96264EA70, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F96264ECA0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F96264EB10, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F96264E840, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F96264EDE0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F96264EB60, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F96264E160, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F96264EA20, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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