Task 38688192

Name test_973-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5087_0
Workunit 31629554
Created 28 Oct 2026, 12:16:12 UTC
Sent 28 Oct 2026, 12:16:14 UTC
Report deadline 2 Nov 2026, 12:16:14 UTC
Received 28 Oct 2026, 13:15:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517019
Run time 44 min 19 sec
CPU time 42 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,579.29 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.45 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
21:18:18 (12124): wrapper (7.9.26016): starting
21:18:18 (12124): 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
21:18:19 (12124): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:18:19 (12124): 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
22:01:24 (12124): C:/Windows/system32/cmd.exe exited; CPU time 2555.765625
22:01:24 (12124): 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: 39924687 bytes.
Dumping objects ->
{3835376} normal block at 0x00000257A1848A80, 48 bytes long.
 Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835365} normal block at 0x00000257A3756460, 32 bytes long.
 Data: <HOME=E:\boinc\sl> 48 4F 4D 45 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835354} normal block at 0x00000257A3755FE0, 32 bytes long.
 Data: <TMP=E:\boinc\slo> 54 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835343} normal block at 0x00000257A3756340, 32 bytes long.
 Data: <TEMP=E:\boinc\sl> 54 45 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835332} normal block at 0x00000257A3755F80, 32 bytes long.
 Data: <TMPDIR=E:\boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 69 6E 63 5C 
{3835301} normal block at 0x00000257A1848E70, 48 bytes long.
 Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x00000257A18169C0, 8 bytes long.
 Data: <   &#163;W   > 00 00 0E A3 57 02 00 00 
{3834037} normal block at 0x00000257A1816A60, 8 bytes long.
 Data: <P a&#163;W   > 50 E4 61 A3 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000257A1823DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000257A180DE90, 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 0x00000257A1825850, 16 bytes long.
 Data: < _ &#161;W           > F8 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000257A1824E50, 16 bytes long.
 Data: <&#208;_ &#161;W           > D0 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000257A181B370, 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 0x00000257A1824DB0, 16 bytes long.
 Data: <&#168;_ &#161;W           > A8 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000257A1825800, 16 bytes long.
 Data: < _ &#161;W           > 80 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000257A18258F0, 16 bytes long.
 Data: <X_ &#161;W           > 58 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000257A18256C0, 16 bytes long.
 Data: <0_ &#161;W           > 30 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000257A181D0A0, 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 0x00000257A18253F0, 16 bytes long.
 Data: < &#201; &#161;W           > 08 C9 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000257A181BB50, 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 0x00000257A1825710, 16 bytes long.
 Data: < &#200; &#161;W           > E0 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000257A18254E0, 16 bytes long.
 Data: <&#184;&#200; &#161;W           > B8 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000257A1824FE0, 16 bytes long.
 Data: < &#200; &#161;W           > 90 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000257A1825620, 16 bytes long.
 Data: <h&#200; &#161;W           > 68 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000257A18259E0, 16 bytes long.
 Data: <@&#200; &#161;W           > 40 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000257A1825AD0, 16 bytes long.
 Data: < &#200; &#161;W           > 18 C8 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000257A181C0F0, 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 0x00000257A1825530, 16 bytes long.
 Data: < &#199; &#161;W           > F0 C7 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000257A181C7F0, 320 bytes long.
 Data: <0U &#161;W    &#192; &#161;W   > 30 55 82 A1 57 02 00 00 F0 C0 81 A1 57 02 00 00 
{271} normal block at 0x00000257A1825A80, 16 bytes long.
 Data: < _ &#161;W           > 10 5F 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000257A1824D60, 16 bytes long.
 Data: < ^ &#161;W           > E8 5E 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000257A181B2B0, 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 0x00000257A1824E00, 16 bytes long.
 Data: <&#192;^ &#161;W           > C0 5E 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000257A181C090, 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 0x00000257A1825C60, 16 bytes long.
 Data: < ^ &#161;W           > 08 5E 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000257A1824D10, 16 bytes long.
 Data: < ] &#161;W           > E0 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000257A18253A0, 16 bytes long.
 Data: <&#184;] &#161;W           > B8 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000257A1824F90, 16 bytes long.
 Data: < ] &#161;W           > 90 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000257A1825170, 16 bytes long.
 Data: <h] &#161;W           > 68 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000257A1825A30, 16 bytes long.
 Data: <@] &#161;W           > 40 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000257A1825350, 16 bytes long.
 Data: < &#206; &#161;W           > E0 CE 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000257A181CEE0, 40 bytes long.
 Data: <PS &#161;W   p  &#161;W   > 50 53 82 A1 57 02 00 00 70 8E 84 A1 57 02 00 00 
{257} normal block at 0x00000257A18255D0, 16 bytes long.
 Data: < ] &#161;W           > 20 5D 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000257A1825260, 16 bytes long.
 Data: < \ &#161;W           > F8 5C 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000257A181BA90, 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 0x00000257A1825C10, 16 bytes long.
 Data: <&#208;\ &#161;W           > D0 5C 82 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000257A1825CD0, 992 bytes long.
 Data: < \ &#161;W    &#186; &#161;W   > 10 5C 82 A1 57 02 00 00 90 BA 81 A1 57 02 00 00 
{89} normal block at 0x00000257A181B550, 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 0x00000257A18166A0, 16 bytes long.
 Data: <0&#208; &#161;W           > 30 D0 81 A1 57 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000257A181D030, 40 bytes long.
 Data: < f &#161;W   P&#181; &#161;W   > A0 66 81 A1 57 02 00 00 50 B5 81 A1 57 02 00 00 
{64} normal block at 0x00000257A1816E70, 16 bytes long.
 Data: <  &#187;             > 80 EA BB 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000257A1816FB0, 16 bytes long.
 Data: <@ &#187;             > 40 E9 BB 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000257A1817370, 16 bytes long.
 Data: < W&#184;             > F8 57 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000257A18165B0, 16 bytes long.
 Data: <&#216;W&#184;             > D8 57 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000257A18168D0, 16 bytes long.
 Data: <P &#184;             > 50 04 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000257A1817140, 16 bytes long.
 Data: <0 &#184;             > 30 04 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000257A1816790, 16 bytes long.
 Data: <  &#184;             > E0 02 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000257A1817000, 16 bytes long.
 Data: <  &#184;             > 10 04 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000257A1816F60, 16 bytes long.
 Data: <p &#184;             > 70 04 B8 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000257A1816B00, 16 bytes long.
 Data: < &#192;&#182;             > 18 C0 B6 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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