Task 38688158

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7783_0
Workunit 31629524
Created 28 Oct 2026, 12:01:31 UTC
Sent 28 Oct 2026, 12:01:36 UTC
Report deadline 2 Nov 2026, 12:01:36 UTC
Received 28 Oct 2026, 14:07:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 7 min 35 sec
CPU time 1 hours 2 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 894.84 MB
Peak swap size 2.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:01:29 (11616): wrapper (7.9.26016): starting
15:01:29 (11616): 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
15:01:31 (11616): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:01:31 (11616): 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\4\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\4\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
16:07:21 (11616): C:/Windows/system32/cmd.exe exited; CPU time 3746.500000
16:07:21 (11616): 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: 47024099 bytes.
Dumping objects ->
{3835194} normal block at 0x000001FB19A007D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001FB19A00A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001FB19A00990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001FB19A01330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001FB19A00AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001FB19BB3E60, 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) : {3835106} normal block at 0x000001FB18055CE0, 8 bytes long.
 Data: <  &#161; &#251;   > 00 00 A1 19 FB 01 00 00 
{3833949} normal block at 0x000001FB18055420, 8 bytes long.
 Data: <  &#193; &#251;   > 90 1F C1 19 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001FB18060C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB18045CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001FB18061C50, 16 bytes long.
 Data: < -  &#251;           > 08 2D 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB18061B10, 16 bytes long.
 Data: <&#224;,  &#251;           > E0 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FB1805C170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001FB18062290, 16 bytes long.
 Data: <&#184;,  &#251;           > B8 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB18061A20, 16 bytes long.
 Data: < ,  &#251;           > 90 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB18062380, 16 bytes long.
 Data: <h,  &#251;           > 68 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB18062240, 16 bytes long.
 Data: <@,  &#251;           > 40 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB1805A5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001FB180622E0, 16 bytes long.
 Data: < \  &#251;           > 88 5C 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB1805C0B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001FB18062970, 16 bytes long.
 Data: <`\  &#251;           > 60 5C 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB180621F0, 16 bytes long.
 Data: <8\  &#251;           > 38 5C 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB18061FC0, 16 bytes long.
 Data: < \  &#251;           > 10 5C 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB180621A0, 16 bytes long.
 Data: <&#232;[  &#251;           > E8 5B 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB180628D0, 16 bytes long.
 Data: <&#192;[  &#251;           > C0 5B 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB180620B0, 16 bytes long.
 Data: < [  &#251;           > 98 5B 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB1805C290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001FB18062880, 16 bytes long.
 Data: <p[  &#251;           > 70 5B 04 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB18045B70, 320 bytes long.
 Data: < (  &#251;    &#194;  &#251;   > 80 28 06 18 FB 01 00 00 90 C2 05 18 FB 01 00 00 
{270} normal block at 0x000001FB18062830, 16 bytes long.
 Data: < ,  &#251;           > 20 2C 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB18061AC0, 16 bytes long.
 Data: <&#248;+  &#251;           > F8 2B 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB1805BB10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001FB18061BB0, 16 bytes long.
 Data: <&#208;+  &#251;           > D0 2B 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB1805BAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001FB18061CA0, 16 bytes long.
 Data: < +  &#251;           > 18 2B 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB18062100, 16 bytes long.
 Data: <&#240;*  &#251;           > F0 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB18062740, 16 bytes long.
 Data: <&#200;*  &#251;           > C8 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB18062060, 16 bytes long.
 Data: <&#160;*  &#251;           > A0 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB18062150, 16 bytes long.
 Data: <x*  &#251;           > 78 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB180626F0, 16 bytes long.
 Data: <P*  &#251;           > 50 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FB18061DE0, 16 bytes long.
 Data: <`&#162;  &#251;           > 60 A2 05 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FB1805A260, 40 bytes long.
 Data: <&#224;   &#251;   `>&#187; &#251;   > E0 1D 06 18 FB 01 00 00 60 3E BB 19 FB 01 00 00 
{256} normal block at 0x000001FB180623D0, 16 bytes long.
 Data: <0*  &#251;           > 30 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FB18061F70, 16 bytes long.
 Data: < *  &#251;           > 08 2A 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FB1805C530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001FB18062420, 16 bytes long.
 Data: <&#224;)  &#251;           > E0 29 06 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FB180629E0, 992 bytes long.
 Data: < $  &#251;   0&#197;  &#251;   > 20 24 06 18 FB 01 00 00 30 C5 05 18 FB 01 00 00 
{88} normal block at 0x000001FB1805BFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001FB180562D0, 16 bytes long.
 Data: <&#208;&#162;  &#251;           > D0 A2 05 18 FB 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001FB1805A2D0, 40 bytes long.
 Data: <&#208;b  &#251;   &#240;&#191;  &#251;   > D0 62 05 18 FB 01 00 00 F0 BF 05 18 FB 01 00 00 
{65} normal block at 0x000001FB18055A60, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB18055A10, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FB18055600, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FB180558D0, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FB18056230, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FB180553D0, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FB180561E0, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FB18055560, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FB180560F0, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FB18055830, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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