Task 38696604

Name test_611-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8691_0
Workunit 31637226
Created 1 Nov 2026, 2:16:45 UTC
Sent 1 Nov 2026, 2:16:51 UTC
Report deadline 6 Nov 2026, 2:16:51 UTC
Received 1 Nov 2026, 4:59:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 38 min 43 sec
CPU time 36 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.54 MB
Peak swap size 12.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
05:00:42 (4004): wrapper (7.9.26016): starting
05:00:42 (4004): 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
05:00:45 (4004): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:00:45 (4004): 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:\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:\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
05:38:01 (4004): C:/Windows/system32/cmd.exe exited; CPU time 2207.671875
05:38:01 (4004): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 35997141 bytes.
Dumping objects ->
{3835315} normal block at 0x00000153346B4790, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x0000015336455E50, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x0000015336456450, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x00000153364563F0, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x00000153364555B0, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x00000153346B4640, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x000001533641E780, 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) : {3835226} normal block at 0x00000153346AEB70, 8 bytes long.
 Data: <  e4S   > 00 00 65 34 53 01 00 00 
{3834587} normal block at 0x000001533641E990, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000153346AF0C0, 8 bytes long.
 Data: <` 26S   > 60 18 32 36 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000153346B0F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000153346A5ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000153346B5440, 16 bytes long.
 Data: <&#248;Rk4S           > F8 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000153346B5B70, 16 bytes long.
 Data: <&#208;Rk4S           > D0 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000153346AF8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000153346B5620, 16 bytes long.
 Data: <&#168;Rk4S           > A8 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000153346B6340, 16 bytes long.
 Data: < Rk4S           > 80 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000153346B5C60, 16 bytes long.
 Data: <XRk4S           > 58 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000153346B5760, 16 bytes long.
 Data: <0Rk4S           > 30 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000153346B4480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000153346B5C10, 16 bytes long.
 Data: <H&#228;i4S           > 48 E4 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000153346AF700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000153346B62F0, 16 bytes long.
 Data: < &#228;i4S           > 20 E4 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000153346B5670, 16 bytes long.
 Data: <&#248;&#227;i4S           > F8 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000153346B5710, 16 bytes long.
 Data: <&#208;&#227;i4S           > D0 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000153346B5940, 16 bytes long.
 Data: <&#168;&#227;i4S           > A8 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000153346B6110, 16 bytes long.
 Data: < &#227;i4S           > 80 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000153346B5BC0, 16 bytes long.
 Data: <X&#227;i4S           > 58 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000153346AFE80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x00000153346B54E0, 16 bytes long.
 Data: <0&#227;i4S           > 30 E3 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001533469E330, 320 bytes long.
 Data: <&#224;Tk4S    &#254;j4S   > E0 54 6B 34 53 01 00 00 80 FE 6A 34 53 01 00 00 
{273} normal block at 0x00000153346B6070, 16 bytes long.
 Data: < Rk4S           > 10 52 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000153346B5CB0, 16 bytes long.
 Data: <&#232;Qk4S           > E8 51 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000153346AF760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000153346B5A80, 16 bytes long.
 Data: <&#192;Qk4S           > C0 51 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000153346AFBE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000153346B55D0, 16 bytes long.
 Data: < Qk4S           > 08 51 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000153346B61B0, 16 bytes long.
 Data: <&#224;Pk4S           > E0 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000153346B5FD0, 16 bytes long.
 Data: <&#184;Pk4S           > B8 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000153346B5490, 16 bytes long.
 Data: < Pk4S           > 90 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000153346B57B0, 16 bytes long.
 Data: <hPk4S           > 68 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000153346AF1B0, 16 bytes long.
 Data: <@Pk4S           > 40 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000153346AEFD0, 16 bytes long.
 Data: <&#224;Hk4S           > E0 48 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000153346B48E0, 40 bytes long.
 Data: <&#208;&#239;j4S   @Fk4S   > D0 EF 6A 34 53 01 00 00 40 46 6B 34 53 01 00 00 
{259} normal block at 0x00000153346AE5D0, 16 bytes long.
 Data: < Pk4S           > 20 50 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000153346AEF80, 16 bytes long.
 Data: <&#248;Ok4S           > F8 4F 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000153346AFA60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000153346AEE40, 16 bytes long.
 Data: <&#208;Ok4S           > D0 4F 6B 34 53 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000153346B4FD0, 992 bytes long.
 Data: <@&#238;j4S   `&#250;j4S   > 40 EE 6A 34 53 01 00 00 60 FA 6A 34 53 01 00 00 
{91} normal block at 0x00000153346B0000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000153346AE800, 16 bytes long.
 Data: <@&#210;i4S           > 40 D2 69 34 53 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001533469D240, 40 bytes long.
 Data: < &#232;j4S     k4S   > 00 E8 6A 34 53 01 00 00 00 00 6B 34 53 01 00 00 
{68} normal block at 0x00000153346AE940, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000153346AF200, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000153346AE530, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000153346AE440, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000153346AE490, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000153346AE4E0, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000153346AF2F0, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000153346AF110, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000153346AF020, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000153346AF2A0, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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