Task 38674193

Name test_785-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7546_0
Workunit 31616238
Created 26 Oct 2026, 4:33:15 UTC
Sent 26 Oct 2026, 4:33:23 UTC
Report deadline 31 Oct 2026, 4:33:23 UTC
Received 26 Oct 2026, 6:07:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520259
Run time 39 min 14 sec
CPU time 30 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,445.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.84 MB
Peak swap size 3.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:29:13 (18992): wrapper (7.9.26016): starting
06:29:13 (18992): 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
06:29:16 (18992): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:29:16 (18992): 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
07:07:19 (18992): C:/Windows/system32/cmd.exe exited; CPU time 1848.421875
07:07:19 (18992): 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: 31237387 bytes.
Dumping objects ->
{3835227} normal block at 0x000001FB88289880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x000001FB882897A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001FB882896C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x000001FB88289340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001FB88289810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x000001FB89E89E20, 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) : {3835139} normal block at 0x000001FB882823F0, 8 bytes long.
 Data: <  _ &#251;   > 00 00 5F 88 FB 01 00 00 
{3833955} normal block at 0x000001FB88281FE0, 8 bytes long.
 Data: <P + &#251;   > 50 0C 2B 88 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001FB8827D440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FB88276A60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001FB8828A3E0, 16 bytes long.
 Data: <&#200;&#177;( &#251;           > C8 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB8828A7F0, 16 bytes long.
 Data: <&#160;&#177;( &#251;           > A0 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB88283900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001FB8828A660, 16 bytes long.
 Data: <x&#177;( &#251;           > 78 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB8828ACA0, 16 bytes long.
 Data: <P&#177;( &#251;           > 50 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FB88289F30, 16 bytes long.
 Data: <(&#177;( &#251;           > 28 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FB8828A610, 16 bytes long.
 Data: < &#177;( &#251;           > 00 B1 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB88289490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001FB8828A570, 16 bytes long.
 Data: <8&#245;& &#251;           > 38 F5 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB882838A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001FB8828A390, 16 bytes long.
 Data: < &#245;& &#251;           > 10 F5 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB8828AC50, 16 bytes long.
 Data: <&#232;&#244;& &#251;           > E8 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FB8828AA20, 16 bytes long.
 Data: <&#192;&#244;& &#251;           > C0 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FB8828A160, 16 bytes long.
 Data: < &#244;& &#251;           > 98 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB8828A750, 16 bytes long.
 Data: <p&#244;& &#251;           > 70 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB8828A4D0, 16 bytes long.
 Data: <H&#244;& &#251;           > 48 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB88284560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001FB8828AD40, 16 bytes long.
 Data: < &#244;& &#251;           > 20 F4 26 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB8826F420, 320 bytes long.
 Data: <@&#173;( &#251;   `E( &#251;   > 40 AD 28 88 FB 01 00 00 60 45 28 88 FB 01 00 00 
{273} normal block at 0x000001FB8828AB10, 16 bytes long.
 Data: <&#224;&#176;( &#251;           > E0 B0 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB8828A520, 16 bytes long.
 Data: <&#184;&#176;( &#251;           > B8 B0 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB882842C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001FB8828A070, 16 bytes long.
 Data: < &#176;( &#251;           > 90 B0 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB88283D20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001FB8828A1B0, 16 bytes long.
 Data: <&#216;&#175;( &#251;           > D8 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB8828A700, 16 bytes long.
 Data: <&#176;&#175;( &#251;           > B0 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB8828A2F0, 16 bytes long.
 Data: < &#175;( &#251;           > 88 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB8828ABB0, 16 bytes long.
 Data: <`&#175;( &#251;           > 60 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB8828A2A0, 16 bytes long.
 Data: <8&#175;( &#251;           > 38 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB8828A5C0, 16 bytes long.
 Data: < &#175;( &#251;           > 10 AF 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB8828AA70, 16 bytes long.
 Data: <&#224;&#149;( &#251;           > E0 95 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB882895E0, 40 bytes long.
 Data: <p&#170;( &#251;    &#158;&#232;&#137;&#251;   > 70 AA 28 88 FB 01 00 00 20 9E E8 89 FB 01 00 00 
{259} normal block at 0x000001FB8828A480, 16 bytes long.
 Data: <&#240;&#174;( &#251;           > F0 AE 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FB8828A6B0, 16 bytes long.
 Data: <&#200;&#174;( &#251;           > C8 AE 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FB88283960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001FB8828A020, 16 bytes long.
 Data: <&#160;&#174;( &#251;           > A0 AE 28 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FB8828AEA0, 992 bytes long.
 Data: < &#160;( &#251;   `9( &#251;   > 20 A0 28 88 FB 01 00 00 60 39 28 88 FB 01 00 00 
{91} normal block at 0x000001FB88284200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001FB882826C0, 16 bytes long.
 Data: <&#224;4' &#251;           > E0 34 27 88 FB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001FB882734E0, 40 bytes long.
 Data: <&#192;&( &#251;    B( &#251;   > C0 26 28 88 FB 01 00 00 00 42 28 88 FB 01 00 00 
{68} normal block at 0x000001FB88282350, 16 bytes long.
 Data: < &#234;&#140;&#247;&#247;           > 80 EA 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FB88281DB0, 16 bytes long.
 Data: <@&#233;&#140;&#247;&#247;           > 40 E9 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FB88281CC0, 16 bytes long.
 Data: <&#248;W&#137;&#247;&#247;           > F8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FB88281EF0, 16 bytes long.
 Data: <&#216;W&#137;&#247;&#247;           > D8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB882819F0, 16 bytes long.
 Data: <P &#137;&#247;&#247;           > 50 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FB88281860, 16 bytes long.
 Data: <0 &#137;&#247;&#247;           > 30 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FB88282120, 16 bytes long.
 Data: <&#224; &#137;&#247;&#247;           > E0 02 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FB882822B0, 16 bytes long.
 Data: <  &#137;&#247;&#247;           > 10 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FB882821C0, 16 bytes long.
 Data: <p &#137;&#247;&#247;           > 70 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FB88281D60, 16 bytes long.
 Data: < &#192;&#135;&#247;&#247;           > 18 C0 87 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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