Task 38688675

Name test_388-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2507_0
Workunit 31630001
Created 28 Oct 2026, 15:31:02 UTC
Sent 28 Oct 2026, 15:31:03 UTC
Report deadline 2 Nov 2026, 15:31:03 UTC
Received 28 Oct 2026, 17:34:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 40 min 33 sec
CPU time 37 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.76 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:54:10 (33580): wrapper (7.9.26016): starting
12:54:10 (33580): 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
12:54:12 (33580): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:12 (33580): 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\16\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\16\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
13:32:53 (33580): C:/Windows/system32/cmd.exe exited; CPU time 2240.750000
13:32:53 (33580): 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: 42516605 bytes.
Dumping objects ->
{3835262} normal block at 0x00000210188DAB30, 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 0x00000210188DAC10, 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 0x00000210188DA7B0, 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 0x0000021016A44CE0, 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 0x0000021016A44C00, 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 0x00000210188C7C40, 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 0x0000021016A3EF50, 8 bytes long.
 Data: <  &#248;     > 00 00 F8 16 10 02 00 00 
{3833959} normal block at 0x0000021016A3F400, 8 bytes long.
 Data: < 8&#146;     > 90 38 92 18 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021016A40CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021016A36460, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021016A460C0, 16 bytes long.
 Data: <XW&#164;             > 58 57 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021016A45EE0, 16 bytes long.
 Data: <0W&#164;             > 30 57 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021016A3FBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021016A46020, 16 bytes long.
 Data: < W&#164;             > 08 57 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021016A465C0, 16 bytes long.
 Data: <&#224;V&#164;             > E0 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021016A46520, 16 bytes long.
 Data: <&#184;V&#164;             > B8 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021016A45C60, 16 bytes long.
 Data: < V&#164;             > 90 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021016A44960, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021016A46700, 16 bytes long.
 Data: <&#232;&#181;&#162;             > E8 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021016A3F910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021016A45AD0, 16 bytes long.
 Data: <&#192;&#181;&#162;             > C0 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021016A45940, 16 bytes long.
 Data: < &#181;&#162;             > 98 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021016A45FD0, 16 bytes long.
 Data: <p&#181;&#162;             > 70 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021016A45A80, 16 bytes long.
 Data: <H&#181;&#162;             > 48 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021016A466B0, 16 bytes long.
 Data: < &#181;&#162;             > 20 B5 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021016A462F0, 16 bytes long.
 Data: <&#248;&#180;&#162;             > F8 B4 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021016A401B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021016A467F0, 16 bytes long.
 Data: <&#208;&#180;&#162;             > D0 B4 A2 16 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021016A2B4D0, 320 bytes long.
 Data: <&#240;g&#164;     &#176; &#164;     > F0 67 A4 16 10 02 00 00 B0 01 A4 16 10 02 00 00 
{275} normal block at 0x0000021016A458A0, 16 bytes long.
 Data: <pV&#164;             > 70 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021016A46660, 16 bytes long.
 Data: <HV&#164;             > 48 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021016A3FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021016A46570, 16 bytes long.
 Data: < V&#164;             > 20 56 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021016A3FF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021016A45CB0, 16 bytes long.
 Data: <hU&#164;             > 68 55 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021016A45B70, 16 bytes long.
 Data: <@U&#164;             > 40 55 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021016A45C10, 16 bytes long.
 Data: < U&#164;             > 18 55 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021016A45F80, 16 bytes long.
 Data: <&#240;T&#164;             > F0 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021016A463E0, 16 bytes long.
 Data: <&#200;T&#164;             > C8 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021016A3ED20, 16 bytes long.
 Data: <&#160;T&#164;             > A0 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021016A3EB40, 16 bytes long.
 Data: <pL&#164;             > 70 4C A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021016A44C70, 40 bytes long.
 Data: <@&#235;&#163;     @|&#140;     > 40 EB A3 16 10 02 00 00 40 7C 8C 18 10 02 00 00 
{261} normal block at 0x0000021016A3E870, 16 bytes long.
 Data: < T&#164;             > 80 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021016A3F220, 16 bytes long.
 Data: <XT&#164;             > 58 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021016A40510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021016A3E820, 16 bytes long.
 Data: <0T&#164;             > 30 54 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021016A45430, 992 bytes long.
 Data: < &#232;&#163;       &#164;     > 20 E8 A3 16 10 02 00 00 10 05 A4 16 10 02 00 00 
{93} normal block at 0x0000021016A3F7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021016A3EC80, 16 bytes long.
 Data: < H&#164;             > 10 48 A4 16 10 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021016A44810, 40 bytes long.
 Data: < &#236;&#163;     &#240;&#247;&#163;     > 80 EC A3 16 10 02 00 00 F0 F7 A3 16 10 02 00 00 
{70} normal block at 0x0000021016A3EEB0, 16 bytes long.
 Data: < &#234;&#246;W&#247;           > 80 EA F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021016A3F5E0, 16 bytes long.
 Data: <@&#233;&#246;W&#247;           > 40 E9 F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021016A3E780, 16 bytes long.
 Data: <&#248;W&#243;W&#247;           > F8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021016A3F040, 16 bytes long.
 Data: <&#216;W&#243;W&#247;           > D8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021016A3EAA0, 16 bytes long.
 Data: <P &#243;W&#247;           > 50 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021016A3F2C0, 16 bytes long.
 Data: <0 &#243;W&#247;           > 30 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021016A3EF00, 16 bytes long.
 Data: <&#224; &#243;W&#247;           > E0 02 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021016A3EA50, 16 bytes long.
 Data: <  &#243;W&#247;           > 10 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021016A3F360, 16 bytes long.
 Data: <p &#243;W&#247;           > 70 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021016A3E960, 16 bytes long.
 Data: < &#192;&#241;W&#247;           > 18 C0 F1 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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