Task 38687994

Name test_511-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5604_0
Workunit 31629364
Created 28 Oct 2026, 10:57:25 UTC
Sent 28 Oct 2026, 10:57:29 UTC
Report deadline 2 Nov 2026, 10:57:29 UTC
Received 28 Oct 2026, 14:11:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629236
Run time 1 hours 26 min 34 sec
CPU time 1 hours 18 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,386.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.22 MB
Peak swap size 5.35 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:43:07 (32048): wrapper (7.9.26016): starting
13:43:07 (32048): 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
13:43:09 (32048): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:09 (32048): 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\12\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\12\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
15:07:35 (32048): C:/Windows/system32/cmd.exe exited; CPU time 4685.453125
15:07:35 (32048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 89630566 bytes.
Dumping objects ->
{3835279} normal block at 0x000002426C881640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x000002426C880A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000002426C880D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x000002426C880DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000002426C881560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x000002426C9F2490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002426CA0A790, 85 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) : {3835190} normal block at 0x000002426ADB7F10, 8 bytes long.
 Data: <  &#137;lB   > 00 00 89 6C 42 02 00 00 
{3834561} normal block at 0x000002426CA0AAB0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002426ADB80F0, 8 bytes long.
 Data: <P%&#168;lB   > 50 25 A8 6C 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002426ADC25B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002426ADAE060, 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 0x000002426ADC4040, 16 bytes long.
 Data: <XH&#220;jB           > 58 48 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002426ADC3FA0, 16 bytes long.
 Data: <0H&#220;jB           > 30 48 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002426ADBDC40, 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 0x000002426ADC3820, 16 bytes long.
 Data: < H&#220;jB           > 08 48 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002426ADC34B0, 16 bytes long.
 Data: <&#224;G&#220;jB           > E0 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002426ADC3B40, 16 bytes long.
 Data: <&#184;G&#220;jB           > B8 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002426ADC3F00, 16 bytes long.
 Data: < G&#220;jB           > 90 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002426ADBC3A0, 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 0x000002426ADC3410, 16 bytes long.
 Data: < ]&#218;jB           > 98 5D DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002426ADBDEE0, 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 0x000002426ADC3FF0, 16 bytes long.
 Data: <p]&#218;jB           > 70 5D DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002426ADC3AF0, 16 bytes long.
 Data: <H]&#218;jB           > 48 5D DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002426ADC3E10, 16 bytes long.
 Data: < ]&#218;jB           > 20 5D DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002426ADC3EB0, 16 bytes long.
 Data: <&#248;\&#218;jB           > F8 5C DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002426ADC4220, 16 bytes long.
 Data: <&#208;\&#218;jB           > D0 5C DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002426ADC41D0, 16 bytes long.
 Data: <&#168;\&#218;jB           > A8 5C DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002426ADBE3C0, 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 0x000002426ADC4310, 16 bytes long.
 Data: < \&#218;jB           > 80 5C DA 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002426ADA5C80, 320 bytes long.
 Data: < C&#220;jB   &#192;&#227;&#219;jB   > 10 43 DC 6A 42 02 00 00 C0 E3 DB 6A 42 02 00 00 
{271} normal block at 0x000002426ADC3DC0, 16 bytes long.
 Data: <pG&#220;jB           > 70 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002426ADC3CD0, 16 bytes long.
 Data: <HG&#220;jB           > 48 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002426ADBE600, 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 0x000002426ADC3910, 16 bytes long.
 Data: < G&#220;jB           > 20 47 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002426ADBDAC0, 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 0x000002426ADC4180, 16 bytes long.
 Data: <hF&#220;jB           > 68 46 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002426ADC3A50, 16 bytes long.
 Data: <@F&#220;jB           > 40 46 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002426ADC36E0, 16 bytes long.
 Data: < F&#220;jB           > 18 46 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002426ADC3640, 16 bytes long.
 Data: <&#240;E&#220;jB           > F0 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002426ADC35F0, 16 bytes long.
 Data: <&#200;E&#220;jB           > C8 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002426ADC3690, 16 bytes long.
 Data: <&#160;E&#220;jB           > A0 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002426ADC3BE0, 16 bytes long.
 Data: < &#200;&#219;jB           > 00 C8 DB 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002426ADBC800, 40 bytes long.
 Data: <&#224;;&#220;jB    $&#159;lB   > E0 3B DC 6A 42 02 00 00 90 24 9F 6C 42 02 00 00 
{257} normal block at 0x000002426ADC3500, 16 bytes long.
 Data: < E&#220;jB           > 80 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002426ADC3A00, 16 bytes long.
 Data: <XE&#220;jB           > 58 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002426ADBDE80, 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 0x000002426ADC3D70, 16 bytes long.
 Data: <0E&#220;jB           > 30 45 DC 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002426ADC4530, 992 bytes long.
 Data: <p=&#220;jB    &#222;&#219;jB   > 70 3D DC 6A 42 02 00 00 80 DE DB 6A 42 02 00 00 
{89} normal block at 0x000002426ADBE120, 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 0x000002426ADB7D30, 16 bytes long.
 Data: <0&#202;&#219;jB           > 30 CA DB 6A 42 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002426ADBCA30, 40 bytes long.
 Data: <0}&#219;jB    &#225;&#219;jB   > 30 7D DB 6A 42 02 00 00 20 E1 DB 6A 42 02 00 00 
{66} normal block at 0x000002426ADB7EC0, 16 bytes long.
 Data: < &#234; &#177;&#247;           > 80 EA 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002426ADB7BF0, 16 bytes long.
 Data: <@&#233; &#177;&#247;           > 40 E9 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002426ADB80A0, 16 bytes long.
 Data: <&#248;W&#154;&#177;&#247;           > F8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002426ADB7CE0, 16 bytes long.
 Data: <&#216;W&#154;&#177;&#247;           > D8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002426ADB7740, 16 bytes long.
 Data: <P &#154;&#177;&#247;           > 50 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002426ADB8460, 16 bytes long.
 Data: <0 &#154;&#177;&#247;           > 30 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002426ADB8320, 16 bytes long.
 Data: <&#224; &#154;&#177;&#247;           > E0 02 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002426ADB84B0, 16 bytes long.
 Data: <  &#154;&#177;&#247;           > 10 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002426ADB7E70, 16 bytes long.
 Data: <p &#154;&#177;&#247;           > 70 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002426ADB85F0, 16 bytes long.
 Data: < &#192; &#177;&#247;           > 18 C0 98 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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