Task 38675403

Name test_196-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2306_0
Workunit 31617376
Created 26 Oct 2026, 8:10:20 UTC
Sent 26 Oct 2026, 8:10:24 UTC
Report deadline 31 Oct 2026, 8:10:24 UTC
Received 26 Oct 2026, 9:14:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 30 min 6 sec
CPU time 28 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.77 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
09:43:24 (20964): wrapper (7.9.26016): starting
09:43:24 (20964): 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
09:43:26 (20964): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:26 (20964): 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
10:12:32 (20964): C:/Windows/system32/cmd.exe exited; CPU time 1715.453125
10:12:32 (20964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 26659429 bytes.
Dumping objects ->
{3835287} normal block at 0x000001D1CC8D1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001D1CC8D1250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001D1CC8D1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000001D1CC8D12C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001D1CC8D0AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000001D1CCA3B6C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001D1CC8DE340, 145 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) : {3835198} normal block at 0x000001D1CAF583C0, 8 bytes long.
 Data: <  &#240;&#202;&#209;   > 00 00 F0 CA D1 01 00 00 
{3834558} normal block at 0x000001D1CC8DDE60, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001D1CAF58500, 8 bytes long.
 Data: <  &#178;&#204;&#209;   > 10 88 B2 CC D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001D1CAF613A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1CAF5DA40, 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 0x000001D1CAF62F20, 16 bytes long.
 Data: < ;&#246;&#202;&#209;           > 18 3B F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D1CAF63240, 16 bytes long.
 Data: <&#240;:&#246;&#202;&#209;           > F0 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1CAF5E4A0, 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 0x000001D1CAF62700, 16 bytes long.
 Data: <&#200;:&#246;&#202;&#209;           > C8 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D1CAF62FC0, 16 bytes long.
 Data: <&#160;:&#246;&#202;&#209;           > A0 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1CAF626B0, 16 bytes long.
 Data: <x:&#246;&#202;&#209;           > 78 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1CAF62A70, 16 bytes long.
 Data: <P:&#246;&#202;&#209;           > 50 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1CAF5CAF0, 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 0x000001D1CAF62480, 16 bytes long.
 Data: <8&#199;&#244;&#202;&#209;           > 38 C7 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D1CAF5E740, 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 0x000001D1CAF63380, 16 bytes long.
 Data: < &#199;&#244;&#202;&#209;           > 10 C7 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1CAF628E0, 16 bytes long.
 Data: <&#232;&#198;&#244;&#202;&#209;           > E8 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D1CAF62BB0, 16 bytes long.
 Data: <&#192;&#198;&#244;&#202;&#209;           > C0 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1CAF62520, 16 bytes long.
 Data: < &#198;&#244;&#202;&#209;           > 98 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1CAF62840, 16 bytes long.
 Data: <p&#198;&#244;&#202;&#209;           > 70 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D1CAF631F0, 16 bytes long.
 Data: <H&#198;&#244;&#202;&#209;           > 48 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1CAF5E260, 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 0x000001D1CAF630B0, 16 bytes long.
 Data: < &#198;&#244;&#202;&#209;           > 20 C6 F4 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1CAF4C620, 320 bytes long.
 Data: <&#176;0&#246;&#202;&#209;   `&#226;&#245;&#202;&#209;   > B0 30 F6 CA D1 01 00 00 60 E2 F5 CA D1 01 00 00 
{270} normal block at 0x000001D1CAF62DE0, 16 bytes long.
 Data: <0:&#246;&#202;&#209;           > 30 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1CAF63150, 16 bytes long.
 Data: < :&#246;&#202;&#209;           > 08 3A F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1CAF5E920, 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 0x000001D1CAF62ED0, 16 bytes long.
 Data: <&#224;9&#246;&#202;&#209;           > E0 39 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D1CAF5E800, 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 0x000001D1CAF62B60, 16 bytes long.
 Data: <(9&#246;&#202;&#209;           > 28 39 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1CAF62A20, 16 bytes long.
 Data: < 9&#246;&#202;&#209;           > 00 39 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D1CAF629D0, 16 bytes long.
 Data: <&#216;8&#246;&#202;&#209;           > D8 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1CAF63100, 16 bytes long.
 Data: <&#176;8&#246;&#202;&#209;           > B0 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1CAF62430, 16 bytes long.
 Data: < 8&#246;&#202;&#209;           > 88 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D1CAF63330, 16 bytes long.
 Data: <`8&#246;&#202;&#209;           > 60 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D1CAF624D0, 16 bytes long.
 Data: <P&#200;&#245;&#202;&#209;           > 50 C8 F5 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D1CAF5C850, 40 bytes long.
 Data: <&#208;$&#246;&#202;&#209;   &#192;&#182;&#163;&#204;&#209;   > D0 24 F6 CA D1 01 00 00 C0 B6 A3 CC D1 01 00 00 
{256} normal block at 0x000001D1CAF631A0, 16 bytes long.
 Data: <@8&#246;&#202;&#209;           > 40 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D1CAF627F0, 16 bytes long.
 Data: < 8&#246;&#202;&#209;           > 18 38 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D1CAF5EA40, 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 0x000001D1CAF62610, 16 bytes long.
 Data: <&#240;7&#246;&#202;&#209;           > F0 37 F6 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D1CAF637F0, 992 bytes long.
 Data: < &&#246;&#202;&#209;   @&#234;&#245;&#202;&#209;   > 10 26 F6 CA D1 01 00 00 40 EA F5 CA D1 01 00 00 
{88} normal block at 0x000001D1CAF5E560, 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 0x000001D1CAF58000, 16 bytes long.
 Data: <&#208;&#203;&#245;&#202;&#209;           > D0 CB F5 CA D1 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001D1CAF5CBD0, 40 bytes long.
 Data: <  &#245;&#202;&#209;   `&#229;&#245;&#202;&#209;   > 00 80 F5 CA D1 01 00 00 60 E5 F5 CA D1 01 00 00 
{65} normal block at 0x000001D1CAF57B00, 16 bytes long.
 Data: < &#234;&#149;L&#246;           > 80 EA 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1CAF57740, 16 bytes long.
 Data: <@&#233;&#149;L&#246;           > 40 E9 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1CAF57F60, 16 bytes long.
 Data: <&#248;W&#146;L&#246;           > F8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D1CAF57A10, 16 bytes long.
 Data: <&#216;W&#146;L&#246;           > D8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D1CAF57AB0, 16 bytes long.
 Data: <P &#146;L&#246;           > 50 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D1CAF581E0, 16 bytes long.
 Data: <0 &#146;L&#246;           > 30 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D1CAF579C0, 16 bytes long.
 Data: <&#224; &#146;L&#246;           > E0 02 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D1CAF58640, 16 bytes long.
 Data: <  &#146;L&#246;           > 10 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D1CAF57970, 16 bytes long.
 Data: <p &#146;L&#246;           > 70 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D1CAF58190, 16 bytes long.
 Data: < &#192; L&#246;           > 18 C0 90 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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