Task 38660030

Name test_1858-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND3520_0
Workunit 31603561
Created 24 Oct 2026, 13:43:49 UTC
Sent 24 Oct 2026, 17:02:09 UTC
Report deadline 29 Oct 2026, 17:02:09 UTC
Received 24 Oct 2026, 19:14:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 52 min 18 sec
CPU time 45 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.35 MB
Peak swap size 6.99 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:26:53 (6048): wrapper (7.9.26016): starting
10:26:53 (6048): 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
10:26:58 (6048): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:26:58 (6048): 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\2\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\2\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
11:23:16 (6048): C:/Windows/system32/cmd.exe exited; CPU time 2707.468750
11:23:16 (6048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 43418371 bytes.
Dumping objects ->
{3835561} normal block at 0x0000015277CAD810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000015276074770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000015276074A10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x00000152760749A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000015276074B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x0000015277CF9780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000015277D0E9F0, 102 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) : {3835472} normal block at 0x000001527606E8E0, 8 bytes long.
 Data: <  DvR   > 00 00 44 76 52 01 00 00 
{3834691} normal block at 0x0000015277D0E470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001527606E890, 8 bytes long.
 Data: < 9&#213;wR   > 80 39 D5 77 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000152760712B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015276065E20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000015276075D90, 16 bytes long.
 Data: < e vR           > 88 65 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015276075D40, 16 bytes long.
 Data: <`e vR           > 60 65 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015276070120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000015276075430, 16 bytes long.
 Data: <8e vR           > 38 65 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015276075610, 16 bytes long.
 Data: < e vR           > 10 65 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015276075340, 16 bytes long.
 Data: <&#232;d vR           > E8 64 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015276075F70, 16 bytes long.
 Data: <&#192;d vR           > C0 64 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015276074700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000015276075C50, 16 bytes long.
 Data: <h&#230; vR           > 68 E6 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000152760700C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000152760752F0, 16 bytes long.
 Data: <@&#230; vR           > 40 E6 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015276075F20, 16 bytes long.
 Data: < &#230; vR           > 18 E6 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015276075A20, 16 bytes long.
 Data: <&#240;&#229; vR           > F0 E5 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015276075BB0, 16 bytes long.
 Data: <&#200;&#229; vR           > C8 E5 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015276075390, 16 bytes long.
 Data: <&#160;&#229; vR           > A0 E5 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015276075ED0, 16 bytes long.
 Data: <x&#229; vR           > 78 E5 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015276070480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000015276075E80, 16 bytes long.
 Data: <P&#229; vR           > 50 E5 06 76 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001527606E550, 320 bytes long.
 Data: < ^ vR      vR   > 80 5E 07 76 52 01 00 00 80 04 07 76 52 01 00 00 
{277} normal block at 0x00000152760756B0, 16 bytes long.
 Data: <&#160;d vR           > A0 64 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000152760758E0, 16 bytes long.
 Data: <xd vR           > 78 64 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015276070360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000015276075CF0, 16 bytes long.
 Data: <Pd vR           > 50 64 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015276070300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000015276075840, 16 bytes long.
 Data: < c vR           > 98 63 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000152760753E0, 16 bytes long.
 Data: <pc vR           > 70 63 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000152760755C0, 16 bytes long.
 Data: <Hc vR           > 48 63 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015276075E30, 16 bytes long.
 Data: < c vR           > 20 63 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015276075750, 16 bytes long.
 Data: <&#248;b vR           > F8 62 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015276075930, 16 bytes long.
 Data: <&#208;b vR           > D0 62 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015276076010, 16 bytes long.
 Data: <&#224;G vR           > E0 47 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000152760747E0, 40 bytes long.
 Data: < ` vR    &#151;&#207;wR   > 10 60 07 76 52 01 00 00 80 97 CF 77 52 01 00 00 
{263} normal block at 0x0000015276075AC0, 16 bytes long.
 Data: <&#176;b vR           > B0 62 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015276075B60, 16 bytes long.
 Data: < b vR           > 88 62 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001527606FA60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000015276075C00, 16 bytes long.
 Data: <`b vR           > 60 62 07 76 52 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015276076260, 992 bytes long.
 Data: < \ vR   `&#250; vR   > 00 5C 07 76 52 01 00 00 60 FA 06 76 52 01 00 00 
{95} normal block at 0x000001527606F8E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001527606E7A0, 16 bytes long.
 Data: <0&#229; vR           > 30 E5 05 76 52 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001527605E530, 40 bytes long.
 Data: <&#160;&#231; vR   &#224;&#248; vR   > A0 E7 06 76 52 01 00 00 E0 F8 06 76 52 01 00 00 
{72} normal block at 0x000001527606F290, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001527606EED0, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001527606F010, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001527606EE80, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001527606F060, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001527606E7F0, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001527606E750, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001527606F0B0, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001527606EE30, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001527606F330, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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