Task 38673093

Name test_462-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2698_0
Workunit 31615197
Created 26 Oct 2026, 1:26:53 UTC
Sent 26 Oct 2026, 1:26:57 UTC
Report deadline 31 Oct 2026, 1:26:57 UTC
Received 26 Oct 2026, 3:36:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 3 sec
CPU time 1 hours 0 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.14 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:33:44 (11576): wrapper (7.9.26016): starting
15:33:44 (11576): 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
15:33:46 (11576): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:33:46 (11576): 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\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 'C:\ProgramData\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
16:35:28 (11576): C:/Windows/system32/cmd.exe exited; CPU time 3627.046875
16:35:28 (11576): 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: 60382563 bytes.
Dumping objects ->
{3835297} normal block at 0x000001F2509EB330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000001F2509EAF40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001F2509EAFB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000001F24EDCC390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001F24EDCC320, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x000001F250A33A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001F250A4D020, 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) : {3835208} normal block at 0x000001F24EDC7B90, 8 bytes long.
 Data: <  zP&#242;   > 00 00 7A 50 F2 01 00 00 
{3834578} normal block at 0x000001F250A4C5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001F24EDC7820, 8 bytes long.
 Data: < )&#172;P&#242;   > 20 29 AC 50 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F24EDD0E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F24EDBAB50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001F24EDD1FB0, 16 bytes long.
 Data: <xF&#221;N&#242;           > 78 46 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F24EDD1E20, 16 bytes long.
 Data: <PF&#221;N&#242;           > 50 46 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F24EDCD940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001F24EDD1DD0, 16 bytes long.
 Data: <(F&#221;N&#242;           > 28 46 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F24EDD1F60, 16 bytes long.
 Data: < F&#221;N&#242;           > 00 46 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F24EDD2820, 16 bytes long.
 Data: <&#216;E&#221;N&#242;           > D8 45 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F24EDD2730, 16 bytes long.
 Data: <&#176;E&#221;N&#242;           > B0 45 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F24EDCC470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001F24EDD2690, 16 bytes long.
 Data: <H&#209;&#220;N&#242;           > 48 D1 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F24EDCDEE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001F24EDD26E0, 16 bytes long.
 Data: < &#209;&#220;N&#242;           > 20 D1 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F24EDD2B40, 16 bytes long.
 Data: <&#248;&#208;&#220;N&#242;           > F8 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F24EDD2D20, 16 bytes long.
 Data: <&#208;&#208;&#220;N&#242;           > D0 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F24EDD2190, 16 bytes long.
 Data: <&#168;&#208;&#220;N&#242;           > A8 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F24EDD2AF0, 16 bytes long.
 Data: < &#208;&#220;N&#242;           > 80 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F24EDD22D0, 16 bytes long.
 Data: <X&#208;&#220;N&#242;           > 58 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F24EDCDE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001F24EDD2640, 16 bytes long.
 Data: <0&#208;&#220;N&#242;           > 30 D0 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F24EDCD030, 320 bytes long.
 Data: <@&&#221;N&#242;    &#222;&#220;N&#242;   > 40 26 DD 4E F2 01 00 00 80 DE DC 4E F2 01 00 00 
{271} normal block at 0x000001F24EDD1F10, 16 bytes long.
 Data: < E&#221;N&#242;           > 90 45 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F24EDD2460, 16 bytes long.
 Data: <hE&#221;N&#242;           > 68 45 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F24EDCDC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001F24EDD2A50, 16 bytes long.
 Data: <@E&#221;N&#242;           > 40 45 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F24EDCD400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001F24EDD2C80, 16 bytes long.
 Data: < D&#221;N&#242;           > 88 44 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F24EDD2C30, 16 bytes long.
 Data: <`D&#221;N&#242;           > 60 44 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F24EDD2500, 16 bytes long.
 Data: <8D&#221;N&#242;           > 38 44 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F24EDD25A0, 16 bytes long.
 Data: < D&#221;N&#242;           > 10 44 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F24EDD2A00, 16 bytes long.
 Data: <&#232;C&#221;N&#242;           > E8 43 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F24EDD25F0, 16 bytes long.
 Data: <&#192;C&#221;N&#242;           > C0 43 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F24EDD2370, 16 bytes long.
 Data: <0&#191;&#220;N&#242;           > 30 BF DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F24EDCBF30, 40 bytes long.
 Data: <p#&#221;N&#242;    :&#163;P&#242;   > 70 23 DD 4E F2 01 00 00 90 3A A3 50 F2 01 00 00 
{257} normal block at 0x000001F24EDD24B0, 16 bytes long.
 Data: <&#160;C&#221;N&#242;           > A0 43 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F24EDD1EC0, 16 bytes long.
 Data: <xC&#221;N&#242;           > 78 43 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F24EDCDD60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001F24EDD2870, 16 bytes long.
 Data: <PC&#221;N&#242;           > 50 43 DD 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F24EDD4350, 992 bytes long.
 Data: <p(&#221;N&#242;   `&#221;&#220;N&#242;   > 70 28 DD 4E F2 01 00 00 60 DD DC 4E F2 01 00 00 
{89} normal block at 0x000001F24EDCDE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001F24EDC7320, 16 bytes long.
 Data: < &#196;&#220;N&#242;           > 00 C4 DC 4E F2 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F24EDCC400, 40 bytes long.
 Data: < s&#220;N&#242;    &#222;&#220;N&#242;   > 20 73 DC 4E F2 01 00 00 20 DE DC 4E F2 01 00 00 
{66} normal block at 0x000001F24EDC73C0, 16 bytes long.
 Data: < &#234;C&#252;&#246;           > 80 EA 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F24EDC7730, 16 bytes long.
 Data: <@&#233;C&#252;&#246;           > 40 E9 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F24EDC7690, 16 bytes long.
 Data: <&#248;W@&#252;&#246;           > F8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F24EDC7500, 16 bytes long.
 Data: <&#216;W@&#252;&#246;           > D8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F24EDC80E0, 16 bytes long.
 Data: <P @&#252;&#246;           > 50 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F24EDC79B0, 16 bytes long.
 Data: <0 @&#252;&#246;           > 30 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F24EDC7D20, 16 bytes long.
 Data: <&#224; @&#252;&#246;           > E0 02 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F24EDC8040, 16 bytes long.
 Data: <  @&#252;&#246;           > 10 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F24EDC7870, 16 bytes long.
 Data: <p @&#252;&#246;           > 70 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F24EDC7780, 16 bytes long.
 Data: < &#192;>&#252;&#246;           > 18 C0 3E FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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