Task 38663266

Name test_653-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7713_0
Workunit 31606487
Created 24 Oct 2026, 21:40:15 UTC
Sent 24 Oct 2026, 21:40:19 UTC
Report deadline 29 Oct 2026, 21:40:19 UTC
Received 25 Oct 2026, 0:58:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 34 min 34 sec
CPU time 31 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.64 MB
Peak swap size 13.00 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:24:16 (49168): wrapper (7.9.26016): starting
17:24:16 (49168): 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
17:24:18 (49168): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:24:18 (49168): 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\18\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\18\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
17:57:28 (49168): C:/Windows/system32/cmd.exe exited; CPU time 1899.171875
17:57:28 (49168): 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: 54183955 bytes.
Dumping objects ->
{3835262} normal block at 0x0000024386A55A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000024386A55730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000024386A55EA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000024386A557A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000024386A55AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000024386A5D7E0, 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) : {3835174} normal block at 0x0000024384D2E210, 8 bytes long.
 Data: <  &#206;&#132;C   > 00 00 CE 84 43 02 00 00 
{3833969} normal block at 0x0000024384D2E350, 8 bytes long.
 Data: <&#176;&#229;&#155;&#134;C   > B0 E5 9B 86 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024384D32140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024384D26570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000024384D35DE0, 16 bytes long.
 Data: <8o&#211;&#132;C           > 38 6F D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024384D36560, 16 bytes long.
 Data: < o&#211;&#132;C           > 10 6F D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024384D2F790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000024384D361A0, 16 bytes long.
 Data: <&#232;n&#211;&#132;C           > E8 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024384D35E30, 16 bytes long.
 Data: <&#192;n&#211;&#132;C           > C0 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024384D35D40, 16 bytes long.
 Data: < n&#211;&#132;C           > 98 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024384D36A10, 16 bytes long.
 Data: <pn&#211;&#132;C           > 70 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024384D340E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000024384D36830, 16 bytes long.
 Data: <&#200;&#241;&#210;&#132;C           > C8 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024384D301B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000024384D36970, 16 bytes long.
 Data: <&#160;&#241;&#210;&#132;C           > A0 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024384D36380, 16 bytes long.
 Data: <x&#241;&#210;&#132;C           > 78 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024384D36240, 16 bytes long.
 Data: <P&#241;&#210;&#132;C           > 50 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024384D36330, 16 bytes long.
 Data: <(&#241;&#210;&#132;C           > 28 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024384D36740, 16 bytes long.
 Data: < &#241;&#210;&#132;C           > 00 F1 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024384D35ED0, 16 bytes long.
 Data: <&#216;&#240;&#210;&#132;C           > D8 F0 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024384D2FEB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000024384D36510, 16 bytes long.
 Data: <&#176;&#240;&#210;&#132;C           > B0 F0 D2 84 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024384D2F0B0, 320 bytes long.
 Data: < e&#211;&#132;C   &#176;&#254;&#210;&#132;C   > 10 65 D3 84 43 02 00 00 B0 FE D2 84 43 02 00 00 
{280} normal block at 0x0000024384D369C0, 16 bytes long.
 Data: <Pn&#211;&#132;C           > 50 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024384D368D0, 16 bytes long.
 Data: <(n&#211;&#132;C           > 28 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024384D30330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000024384D36150, 16 bytes long.
 Data: < n&#211;&#132;C           > 00 6E D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024384D2FFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000024384D36100, 16 bytes long.
 Data: <Hm&#211;&#132;C           > 48 6D D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024384D364C0, 16 bytes long.
 Data: < m&#211;&#132;C           > 20 6D D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024384D362E0, 16 bytes long.
 Data: <&#248;l&#211;&#132;C           > F8 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024384D35CF0, 16 bytes long.
 Data: <&#208;l&#211;&#132;C           > D0 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024384D36920, 16 bytes long.
 Data: <&#168;l&#211;&#132;C           > A8 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024384D36420, 16 bytes long.
 Data: < l&#211;&#132;C           > 80 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024384D36470, 16 bytes long.
 Data: <p@&#211;&#132;C           > 70 40 D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024384D34070, 40 bytes long.
 Data: <pd&#211;&#132;C   &#224;&#215;&#165;&#134;C   > 70 64 D3 84 43 02 00 00 E0 D7 A5 86 43 02 00 00 
{266} normal block at 0x0000024384D35D90, 16 bytes long.
 Data: <`l&#211;&#132;C           > 60 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024384D360B0, 16 bytes long.
 Data: <8l&#211;&#132;C           > 38 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024384D2F730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000024384D36060, 16 bytes long.
 Data: < l&#211;&#132;C           > 10 6C D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024384D36C10, 992 bytes long.
 Data: <``&#211;&#132;C   0&#247;&#210;&#132;C   > 60 60 D3 84 43 02 00 00 30 F7 D2 84 43 02 00 00 
{98} normal block at 0x0000024384D2FBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000024384D2D680, 16 bytes long.
 Data: < G&#211;&#132;C           > 00 47 D3 84 43 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000024384D34700, 40 bytes long.
 Data: < &#214;&#210;&#132;C   &#176;&#251;&#210;&#132;C   > 80 D6 D2 84 43 02 00 00 B0 FB D2 84 43 02 00 00 
{75} normal block at 0x0000024384D2D630, 16 bytes long.
 Data: < &#234;&#168;e&#247;           > 80 EA A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000024384D2E4E0, 16 bytes long.
 Data: <@&#233;&#168;e&#247;           > 40 E9 A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024384D2E030, 16 bytes long.
 Data: <&#248;W&#165;e&#247;           > F8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024384D2D770, 16 bytes long.
 Data: <&#216;W&#165;e&#247;           > D8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024384D2DF40, 16 bytes long.
 Data: <P &#165;e&#247;           > 50 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024384D2DD10, 16 bytes long.
 Data: <0 &#165;e&#247;           > 30 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024384D2DC70, 16 bytes long.
 Data: <&#224; &#165;e&#247;           > E0 02 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024384D2DE50, 16 bytes long.
 Data: <  &#165;e&#247;           > 10 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024384D2DC20, 16 bytes long.
 Data: <p &#165;e&#247;           > 70 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024384D2DCC0, 16 bytes long.
 Data: < &#192;&#163;e&#247;           > 18 C0 A3 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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