Task 38688784

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9971_0
Workunit 31630105
Created 28 Oct 2026, 16:09:20 UTC
Sent 28 Oct 2026, 16:09:25 UTC
Report deadline 2 Nov 2026, 16:09:25 UTC
Received 28 Oct 2026, 17:27:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 1 hours 16 min 36 sec
CPU time 37 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.41 MB
Peak swap size 2.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:12:55 (13144): wrapper (7.9.26016): starting
17:12:55 (13144): 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
17:12:58 (13144): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:12:58 (13144): 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
18:26:49 (13144): C:/Windows/system32/cmd.exe exited; CPU time 2246.656250
18:26:49 (13144): 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: 44117943 bytes.
Dumping objects ->
{3835268} normal block at 0x000001681C184860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001681C184E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001681C184780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001681C1849B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001681C184CC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001681DD65A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001681DD7E730, 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) : {3835178} normal block at 0x000001681C17E9B0, 8 bytes long.
 Data: <  I h   > 00 00 49 1C 68 01 00 00 
{3834558} normal block at 0x000001681DD7F180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001681C17ED70, 8 bytes long.
 Data: <@&#234;% h   > 40 EA 25 1C 68 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001681C180A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001681C1758F0, 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 0x000001681C185BD0, 16 bytes long.
 Data: <Xe  h           > 58 65 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001681C185270, 16 bytes long.
 Data: <0e  h           > 30 65 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001681C180270, 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 0x000001681C185E00, 16 bytes long.
 Data: < e  h           > 08 65 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001681C185860, 16 bytes long.
 Data: <&#224;d  h           > E0 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001681C185D60, 16 bytes long.
 Data: <&#184;d  h           > B8 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001681C1856D0, 16 bytes long.
 Data: < d  h           > 90 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001681C1848D0, 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 0x000001681C185A40, 16 bytes long.
 Data: < &#179;  h           > 98 B3 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001681C1801B0, 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 0x000001681C185B80, 16 bytes long.
 Data: <p&#179;  h           > 70 B3 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001681C185680, 16 bytes long.
 Data: <H&#179;  h           > 48 B3 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001681C185EF0, 16 bytes long.
 Data: < &#179;  h           > 20 B3 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001681C185EA0, 16 bytes long.
 Data: <&#248;&#178;  h           > F8 B2 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001681C185FE0, 16 bytes long.
 Data: <&#208;&#178;  h           > D0 B2 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001681C186120, 16 bytes long.
 Data: <&#168;&#178;  h           > A8 B2 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001681C17FD90, 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 0x000001681C1854A0, 16 bytes long.
 Data: < &#178;  h           > 80 B2 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001681C16B280, 320 bytes long.
 Data: <&#160;T  h    &#253;  h   > A0 54 18 1C 68 01 00 00 90 FD 17 1C 68 01 00 00 
{272} normal block at 0x000001681C185F40, 16 bytes long.
 Data: <pd  h           > 70 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001681C186080, 16 bytes long.
 Data: <Hd  h           > 48 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001681C17F9D0, 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 0x000001681C1852C0, 16 bytes long.
 Data: < d  h           > 20 64 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001681C1800F0, 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 0x000001681C185F90, 16 bytes long.
 Data: <hc  h           > 68 63 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001681C185B30, 16 bytes long.
 Data: <@c  h           > 40 63 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001681C185630, 16 bytes long.
 Data: < c  h           > 18 63 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001681C185C70, 16 bytes long.
 Data: <&#240;b  h           > F0 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001681C1859F0, 16 bytes long.
 Data: <&#200;b  h           > C8 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001681C1859A0, 16 bytes long.
 Data: <&#160;b  h           > A0 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001681C185770, 16 bytes long.
 Data: <0M  h           > 30 4D 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001681C184D30, 40 bytes long.
 Data: <pW  h    Z&#214; h   > 70 57 18 1C 68 01 00 00 80 5A D6 1D 68 01 00 00 
{258} normal block at 0x000001681C1854F0, 16 bytes long.
 Data: < b  h           > 80 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001681C185950, 16 bytes long.
 Data: <Xb  h           > 58 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001681C17FDF0, 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 0x000001681C185400, 16 bytes long.
 Data: <0b  h           > 30 62 18 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001681C186230, 992 bytes long.
 Data: < T  h   &#240;&#253;  h   > 00 54 18 1C 68 01 00 00 F0 FD 17 1C 68 01 00 00 
{90} normal block at 0x000001681C17F670, 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 0x000001681C17E960, 16 bytes long.
 Data: < &#219;  h           > 10 DB 16 1C 68 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001681C16DB10, 40 bytes long.
 Data: <`&#233;  h   p&#246;  h   > 60 E9 17 1C 68 01 00 00 70 F6 17 1C 68 01 00 00 
{67} normal block at 0x000001681C17F220, 16 bytes long.
 Data: < &#234;&#252;&#167;&#247;           > 80 EA FC A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001681C17EFA0, 16 bytes long.
 Data: <@&#233;&#252;&#167;&#247;           > 40 E9 FC A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001681C17E910, 16 bytes long.
 Data: <&#248;W&#249;&#167;&#247;           > F8 57 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001681C17E550, 16 bytes long.
 Data: <&#216;W&#249;&#167;&#247;           > D8 57 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001681C17E8C0, 16 bytes long.
 Data: <P &#249;&#167;&#247;           > 50 04 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001681C17EB40, 16 bytes long.
 Data: <0 &#249;&#167;&#247;           > 30 04 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001681C17F2C0, 16 bytes long.
 Data: <&#224; &#249;&#167;&#247;           > E0 02 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001681C17EA50, 16 bytes long.
 Data: <  &#249;&#167;&#247;           > 10 04 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001681C17E5F0, 16 bytes long.
 Data: <p &#249;&#167;&#247;           > 70 04 F9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001681C17E730, 16 bytes long.
 Data: < &#192;&#247;&#167;&#247;           > 18 C0 F7 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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