Task 38672316

Name test_303-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6476_0
Workunit 31614470
Created 25 Oct 2026, 23:04:00 UTC
Sent 25 Oct 2026, 23:04:11 UTC
Report deadline 30 Oct 2026, 23:04:11 UTC
Received 26 Oct 2026, 0:33:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 4 min 40 sec
CPU time 1 hours 2 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.01 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:26:18 (2732): wrapper (7.9.26016): starting
01:26:18 (2732): 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
01:26:22 (2732): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:26:22 (2732): 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 'E:\Boinc\slots\1\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 'E:\Boinc\slots\1\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
02:32:21 (2732): C:/Windows/system32/cmd.exe exited; CPU time 3736.312500
02:32:21 (2732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 49931354 bytes.
Dumping objects ->
{3835460} normal block at 0x0000016CB3965E30, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000016CB5A926C0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000016CB5A919A0, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000016CB5A929C0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000016CB5A92960, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000016CB3965B20, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000016CB59FB910, 85 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) : {3835371} normal block at 0x0000016CB3937510, 8 bytes long.
 Data: <  &#130;&#181;l   > 00 00 82 B5 6C 01 00 00 
{3834651} normal block at 0x0000016CB59FBF50, 85 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 0x0000016CB39373D0, 8 bytes long.
 Data: <&#208; &#169;&#181;l   > D0 88 A9 B5 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000016CB39408A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016CB3928CD0, 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 0x0000016CB3941C00, 16 bytes long.
 Data: < 1&#148;&#179;l           > 08 31 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016CB3941B10, 16 bytes long.
 Data: <&#224;0&#148;&#179;l           > E0 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016CB393BCC0, 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 0x0000016CB39421F0, 16 bytes long.
 Data: <&#184;0&#148;&#179;l           > B8 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016CB3941AC0, 16 bytes long.
 Data: < 0&#148;&#179;l           > 90 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016CB3942060, 16 bytes long.
 Data: <h0&#148;&#179;l           > 68 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016CB3941A70, 16 bytes long.
 Data: <@0&#148;&#179;l           > 40 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016CB393D7B0, 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 0x0000016CB3941D40, 16 bytes long.
 Data: <H&#192;&#146;&#179;l           > 48 C0 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016CB393C0E0, 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 0x0000016CB3941DE0, 16 bytes long.
 Data: < &#192;&#146;&#179;l           > 20 C0 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016CB3942420, 16 bytes long.
 Data: <&#248;&#191;&#146;&#179;l           > F8 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016CB39421A0, 16 bytes long.
 Data: <&#208;&#191;&#146;&#179;l           > D0 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016CB3942240, 16 bytes long.
 Data: <&#168;&#191;&#146;&#179;l           > A8 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016CB3942010, 16 bytes long.
 Data: < &#191;&#146;&#179;l           > 80 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016CB3941BB0, 16 bytes long.
 Data: <X&#191;&#146;&#179;l           > 58 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016CB393BC60, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000016CB3942650, 16 bytes long.
 Data: <0&#191;&#146;&#179;l           > 30 BF 92 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016CB392BF30, 320 bytes long.
 Data: <P&&#148;&#179;l   `&#188;&#147;&#179;l   > 50 26 94 B3 6C 01 00 00 60 BC 93 B3 6C 01 00 00 
{270} normal block at 0x0000016CB3941B60, 16 bytes long.
 Data: < 0&#148;&#179;l           > 20 30 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016CB3941FC0, 16 bytes long.
 Data: <&#248;/&#148;&#179;l           > F8 2F 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016CB393BFC0, 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 0x0000016CB3941A20, 16 bytes long.
 Data: <&#208;/&#148;&#179;l           > D0 2F 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016CB393C440, 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 0x0000016CB3942600, 16 bytes long.
 Data: < /&#148;&#179;l           > 18 2F 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016CB3941D90, 16 bytes long.
 Data: <&#240;.&#148;&#179;l           > F0 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016CB3942970, 16 bytes long.
 Data: <&#200;.&#148;&#179;l           > C8 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016CB39425B0, 16 bytes long.
 Data: <&#160;.&#148;&#179;l           > A0 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016CB3941F70, 16 bytes long.
 Data: <x.&#148;&#179;l           > 78 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016CB3942920, 16 bytes long.
 Data: <P.&#148;&#179;l           > 50 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016CB3942560, 16 bytes long.
 Data: < &#216;&#147;&#179;l           > 90 D8 93 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016CB393D890, 40 bytes long.
 Data: <`%&#148;&#179;l    [&#150;&#179;l   > 60 25 94 B3 6C 01 00 00 20 5B 96 B3 6C 01 00 00 
{256} normal block at 0x0000016CB39428D0, 16 bytes long.
 Data: <0.&#148;&#179;l           > 30 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016CB39424C0, 16 bytes long.
 Data: < .&#148;&#179;l           > 08 2E 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016CB393C500, 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 0x0000016CB3942830, 16 bytes long.
 Data: <&#224;-&#148;&#179;l           > E0 2D 94 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016CB3942DE0, 992 bytes long.
 Data: <0(&#148;&#179;l    &#197;&#147;&#179;l   > 30 28 94 B3 6C 01 00 00 00 C5 93 B3 6C 01 00 00 
{88} normal block at 0x0000016CB393C1A0, 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 0x0000016CB39374C0, 16 bytes long.
 Data: <`&#214;&#147;&#179;l           > 60 D6 93 B3 6C 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000016CB393D660, 40 bytes long.
 Data: <&#192;t&#147;&#179;l   &#160;&#193;&#147;&#179;l   > C0 74 93 B3 6C 01 00 00 A0 C1 93 B3 6C 01 00 00 
{65} normal block at 0x0000016CB3936E80, 16 bytes long.
 Data: < &#234;Y&#234;&#247;           > 80 EA 59 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016CB3937330, 16 bytes long.
 Data: <@&#233;Y&#234;&#247;           > 40 E9 59 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016CB39372E0, 16 bytes long.
 Data: <&#248;WV&#234;&#247;           > F8 57 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016CB3937290, 16 bytes long.
 Data: <&#216;WV&#234;&#247;           > D8 57 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016CB3936BB0, 16 bytes long.
 Data: <P V&#234;&#247;           > 50 04 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016CB3936C50, 16 bytes long.
 Data: <0 V&#234;&#247;           > 30 04 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016CB3937880, 16 bytes long.
 Data: <&#224; V&#234;&#247;           > E0 02 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016CB3937650, 16 bytes long.
 Data: <  V&#234;&#247;           > 10 04 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016CB3937790, 16 bytes long.
 Data: <p V&#234;&#247;           > 70 04 56 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016CB3936CF0, 16 bytes long.
 Data: < &#192;T&#234;&#247;           > 18 C0 54 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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