Task 38664919

Name test_778-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9922_0
Workunit 31608042
Created 25 Oct 2026, 0:22:10 UTC
Sent 25 Oct 2026, 0:22:26 UTC
Report deadline 30 Oct 2026, 0:22:26 UTC
Received 25 Oct 2026, 4:52:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 40 min 38 sec
CPU time 34 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.20 MB
Peak swap size 3.84 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:22:37 (9432): wrapper (7.9.26016): starting
02:22:37 (9432): 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
02:22:40 (9432): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:22:40 (9432): 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\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 'E:\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
03:00:52 (9432): C:/Windows/system32/cmd.exe exited; CPU time 2085.453125
03:00:52 (9432): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 42694049 bytes.
Dumping objects ->
{3835197} normal block at 0x000002148E8DE930, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x00000214903E4470, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000214903E5610, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x00000214903E4A70, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x00000214903E4890, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000002148E8DE620, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000002148E8D8050, 8 bytes long.
 Data: <  K     > 00 00 4B 90 14 02 00 00 
{3833953} normal block at 0x000002148E8D7830, 8 bytes long.
 Data: <P:B     > 50 3A 42 90 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002148E8E1B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002148E8C5FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002148E8E3750, 16 bytes long.
 Data: <&#184;=&#142;&#142;            > B8 3D 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002148E8E2B20, 16 bytes long.
 Data: < =&#142;&#142;            > 90 3D 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002148E8DCA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002148E8E3070, 16 bytes long.
 Data: <h=&#142;&#142;            > 68 3D 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002148E8E2AD0, 16 bytes long.
 Data: <@=&#142;&#142;            > 40 3D 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002148E8E3980, 16 bytes long.
 Data: < =&#142;&#142;            > 18 3D 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002148E8E3700, 16 bytes long.
 Data: <&#240;<&#142;&#142;            > F0 3C 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002148E8DE8C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002148E8E3520, 16 bytes long.
 Data: <&#248;&#191;&#140;&#142;            > F8 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002148E8DC860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002148E8E34D0, 16 bytes long.
 Data: <&#208;&#191;&#140;&#142;            > D0 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002148E8E3430, 16 bytes long.
 Data: <&#168;&#191;&#140;&#142;            > A8 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002148E8E36B0, 16 bytes long.
 Data: < &#191;&#140;&#142;            > 80 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002148E8E3890, 16 bytes long.
 Data: <X&#191;&#140;&#142;            > 58 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002148E8E3660, 16 bytes long.
 Data: <0&#191;&#140;&#142;            > 30 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002148E8E32A0, 16 bytes long.
 Data: < &#191;&#140;&#142;            > 08 BF 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002148E8DD160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002148E8E3930, 16 bytes long.
 Data: <&#224;&#190;&#140;&#142;            > E0 BE 8C 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002148E8CBEE0, 320 bytes long.
 Data: <09&#142;&#142;    `&#209; &#142;    > 30 39 8E 8E 14 02 00 00 60 D1 8D 8E 14 02 00 00 
{272} normal block at 0x000002148E8E38E0, 16 bytes long.
 Data: <&#208;<&#142;&#142;            > D0 3C 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002148E8E3390, 16 bytes long.
 Data: <&#168;<&#142;&#142;            > A8 3C 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002148E8DC740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002148E8E2DF0, 16 bytes long.
 Data: < <&#142;&#142;            > 80 3C 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002148E8DC980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002148E8E3340, 16 bytes long.
 Data: <&#200;;&#142;&#142;            > C8 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002148E8E33E0, 16 bytes long.
 Data: <&#160;;&#142;&#142;            > A0 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002148E8E3480, 16 bytes long.
 Data: <x;&#142;&#142;            > 78 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002148E8E37F0, 16 bytes long.
 Data: <P;&#142;&#142;            > 50 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002148E8E3610, 16 bytes long.
 Data: <(;&#142;&#142;            > 28 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002148E8E2D50, 16 bytes long.
 Data: < ;&#142;&#142;            > 00 3B 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002148E8E2F30, 16 bytes long.
 Data: <&#208;&#228; &#142;            > D0 E4 8D 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002148E8DE4D0, 40 bytes long.
 Data: <0/&#142;&#142;     &#230; &#142;    > 30 2F 8E 8E 14 02 00 00 20 E6 8D 8E 14 02 00 00 
{258} normal block at 0x000002148E8E32F0, 16 bytes long.
 Data: <&#224;:&#142;&#142;            > E0 3A 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002148E8E2C60, 16 bytes long.
 Data: <&#184;:&#142;&#142;            > B8 3A 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002148E8DC9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002148E8E3250, 16 bytes long.
 Data: < :&#142;&#142;            > 90 3A 8E 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002148E8E3A90, 992 bytes long.
 Data: <P2&#142;&#142;    &#224;&#201; &#142;    > 50 32 8E 8E 14 02 00 00 E0 C9 8D 8E 14 02 00 00 
{90} normal block at 0x000002148E8DD580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002148E8D8780, 16 bytes long.
 Data: <&#240;&#227; &#142;            > F0 E3 8D 8E 14 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002148E8DE3F0, 40 bytes long.
 Data: < &#135; &#142;     &#213; &#142;    > 80 87 8D 8E 14 02 00 00 80 D5 8D 8E 14 02 00 00 
{67} normal block at 0x000002148E8D86E0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002148E8D7920, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002148E8D7FB0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002148E8D7F60, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002148E8D7B00, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002148E8D7AB0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002148E8D85F0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002148E8D8550, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002148E8D8640, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002148E8D7F10, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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