Task 38685937

Name test_702-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5484_0
Workunit 31627390
Created 27 Oct 2026, 23:46:51 UTC
Sent 27 Oct 2026, 23:46:54 UTC
Report deadline 1 Nov 2026, 23:46:54 UTC
Received 28 Oct 2026, 3:11:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 25 sec
CPU time 1 hours 2 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.25 MB
Peak swap size 11.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:05:14 (7892): wrapper (7.9.26016): starting
03:05:14 (7892): 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
03:05:16 (7892): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:16 (7892): 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\28\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\28\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
04:10:52 (7892): C:/Windows/system32/cmd.exe exited; CPU time 3745.765625
04:10:52 (7892): 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: 58891561 bytes.
Dumping objects ->
{3835271} normal block at 0x0000022B9AC7DF50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000022B9AC7DD20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000022B9AC7E3B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000022B9AC7DFC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000022B9AC7DC40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000022B9ACAC850, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022B9AD0E180, 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) : {3835182} normal block at 0x0000022B99017200, 8 bytes long.
 Data: <  &#246; +   > 00 00 F6 98 2B 02 00 00 
{3834555} normal block at 0x0000022B9AD0E230, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000022B990170C0, 8 bytes long.
 Data: < g&#220;&#154;+   > 00 67 DC 9A 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022B990224C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B9900C7A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022B99023FF0, 16 bytes long.
 Data: <8H  +           > 38 48 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B99023FA0, 16 bytes long.
 Data: < H  +           > 10 48 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B9901D500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022B99023F00, 16 bytes long.
 Data: <&#232;G  +           > E8 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B99023D70, 16 bytes long.
 Data: <&#192;G  +           > C0 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B99023D20, 16 bytes long.
 Data: < G  +           > 98 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B99024310, 16 bytes long.
 Data: <pG  +           > 70 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B9901B740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022B990244A0, 16 bytes long.
 Data: <&#168;&#178;  +           > A8 B2 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B9901CB40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022B99024180, 16 bytes long.
 Data: < &#178;  +           > 80 B2 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022B99023C80, 16 bytes long.
 Data: <X&#178;  +           > 58 B2 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B99023AA0, 16 bytes long.
 Data: <0&#178;  +           > 30 B2 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B990241D0, 16 bytes long.
 Data: < &#178;  +           > 08 B2 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B99023CD0, 16 bytes long.
 Data: <&#224;&#177;  +           > E0 B1 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B99023B40, 16 bytes long.
 Data: <&#184;&#177;  +           > B8 B1 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B9901CD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000022B99023A00, 16 bytes long.
 Data: < &#177;  +           > 90 B1 00 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B9900B190, 320 bytes long.
 Data: < :  +    &#205;  +   > 00 3A 02 99 2B 02 00 00 80 CD 01 99 2B 02 00 00 
{269} normal block at 0x0000022B990239B0, 16 bytes long.
 Data: <PG  +           > 50 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B99024360, 16 bytes long.
 Data: <(G  +           > 28 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B9901D020, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022B99023870, 16 bytes long.
 Data: < G  +           > 00 47 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B9901C840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022B99023A50, 16 bytes long.
 Data: <HF  +           > 48 46 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022B990240E0, 16 bytes long.
 Data: < F  +           > 20 46 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B99023EB0, 16 bytes long.
 Data: <&#248;E  +           > F8 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B99023E10, 16 bytes long.
 Data: <&#208;E  +           > D0 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022B99023960, 16 bytes long.
 Data: <&#168;E  +           > A8 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B99023C30, 16 bytes long.
 Data: < E  +           > 80 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022B99023BE0, 16 bytes long.
 Data: <&#208;&#182;  +           > D0 B6 01 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022B9901B6D0, 40 bytes long.
 Data: <&#224;;  +   P&#200;&#202;&#154;+   > E0 3B 02 99 2B 02 00 00 50 C8 CA 9A 2B 02 00 00 
{255} normal block at 0x0000022B99023910, 16 bytes long.
 Data: <`E  +           > 60 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022B99023E60, 16 bytes long.
 Data: <8E  +           > 38 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022B9901D080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022B99023820, 16 bytes long.
 Data: < E  +           > 10 45 02 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022B99024510, 992 bytes long.
 Data: < 8  +    &#208;  +   > 20 38 02 99 2B 02 00 00 80 D0 01 99 2B 02 00 00 
{87} normal block at 0x0000022B9901C960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022B99016990, 16 bytes long.
 Data: <0&#180;  +           > 30 B4 01 99 2B 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022B9901B430, 40 bytes long.
 Data: < i  +   `&#201;  +   > 90 69 01 99 2B 02 00 00 60 C9 01 99 2B 02 00 00 
{64} normal block at 0x0000022B990168F0, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B99016C10, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022B99016760, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022B990168A0, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022B99017340, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022B990172A0, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022B99016C60, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022B990166C0, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022B99016800, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022B990171B0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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