Task 38682800

Name test_630-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4712_0
Workunit 31624394
Created 27 Oct 2026, 9:11:03 UTC
Sent 27 Oct 2026, 9:11:10 UTC
Report deadline 1 Nov 2026, 9:11:10 UTC
Received 27 Oct 2026, 10:06:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 34 min 55 sec
CPU time 33 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.75 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:23:14 (22548): wrapper (7.9.26016): starting
05:23:14 (22548): 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
05:23:15 (22548): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:23:15 (22548): 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\7\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\7\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
05:56:50 (22548): C:/Windows/system32/cmd.exe exited; CPU time 1990.656250
05:56:50 (22548): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 35149691 bytes.
Dumping objects ->
{3835185} normal block at 0x000001A5086147F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001A508614780, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001A508614CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000001A508614C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000001A508614710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000001A50A256200, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835097} normal block at 0x000001A5086111E0, 8 bytes long.
 Data: <  &#159; &#165;   > 00 00 9F 08 A5 01 00 00 
{3833953} normal block at 0x000001A508610E70, 8 bytes long.
 Data: < &#235;n &#165;   > 80 EB 6E 08 A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001A50860EB80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A5086054F0, 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 0x000001A508615E90, 16 bytes long.
 Data: < ea &#165;           > 98 65 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A508615CB0, 16 bytes long.
 Data: <pea &#165;           > 70 65 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A50860F630, 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 0x000001A5086158A0, 16 bytes long.
 Data: <Hea &#165;           > 48 65 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A508615AD0, 16 bytes long.
 Data: < ea &#165;           > 20 65 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A508615A80, 16 bytes long.
 Data: <&#248;da &#165;           > F8 64 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A508615580, 16 bytes long.
 Data: <&#208;da &#165;           > D0 64 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A508614940, 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 0x000001A5086160C0, 16 bytes long.
 Data: < &#242;_ &#165;           > 08 F2 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A50860F990, 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 0x000001A508615350, 16 bytes long.
 Data: <&#224;&#241;_ &#165;           > E0 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A5086153A0, 16 bytes long.
 Data: <&#184;&#241;_ &#165;           > B8 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A5086152B0, 16 bytes long.
 Data: < &#241;_ &#165;           > 90 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A508615DF0, 16 bytes long.
 Data: <h&#241;_ &#165;           > 68 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A508615760, 16 bytes long.
 Data: <@&#241;_ &#165;           > 40 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A508616110, 16 bytes long.
 Data: < &#241;_ &#165;           > 18 F1 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A50860F5D0, 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 0x000001A508616200, 16 bytes long.
 Data: <&#240;&#240;_ &#165;           > F0 F0 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A5085FF0F0, 320 bytes long.
 Data: < ba &#165;   &#208;&#245;` &#165;   > 00 62 61 08 A5 01 00 00 D0 F5 60 08 A5 01 00 00 
{272} normal block at 0x000001A508615A30, 16 bytes long.
 Data: <&#176;da &#165;           > B0 64 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A5086159E0, 16 bytes long.
 Data: < da &#165;           > 88 64 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A50860FB10, 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 0x000001A5086161B0, 16 bytes long.
 Data: <`da &#165;           > 60 64 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A50860F450, 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 0x000001A508615300, 16 bytes long.
 Data: <&#168;ca &#165;           > A8 63 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A5086157B0, 16 bytes long.
 Data: < ca &#165;           > 80 63 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A508615EE0, 16 bytes long.
 Data: <Xca &#165;           > 58 63 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A508615990, 16 bytes long.
 Data: <0ca &#165;           > 30 63 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A5086156C0, 16 bytes long.
 Data: < ca &#165;           > 08 63 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A508615850, 16 bytes long.
 Data: <&#224;ba &#165;           > E0 62 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A508615C60, 16 bytes long.
 Data: < Ka &#165;           > 00 4B 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A508614B00, 40 bytes long.
 Data: <`\a &#165;    b% &#165;   > 60 5C 61 08 A5 01 00 00 00 62 25 0A A5 01 00 00 
{258} normal block at 0x000001A508615F30, 16 bytes long.
 Data: <&#192;ba &#165;           > C0 62 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A508615DA0, 16 bytes long.
 Data: < ba &#165;           > 98 62 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A50860F570, 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 0x000001A508615530, 16 bytes long.
 Data: <pba &#165;           > 70 62 61 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001A508616270, 992 bytes long.
 Data: <0Ua &#165;   p&#245;` &#165;   > 30 55 61 08 A5 01 00 00 70 F5 60 08 A5 01 00 00 
{90} normal block at 0x000001A5086101D0, 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 0x000001A508610510, 16 bytes long.
 Data: < &#238;_ &#165;           > 10 EE 5F 08 A5 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001A5085FEE10, 40 bytes long.
 Data: <  a &#165;   &#208; a &#165;   > 10 05 61 08 A5 01 00 00 D0 01 61 08 A5 01 00 00 
{67} normal block at 0x000001A508611230, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A508610970, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A508611050, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A508610380, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A508611000, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A5086104C0, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A508610B00, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A508610A60, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A508610560, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A508610FB0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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