Task 38688861

Name test_991-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3066_1
Workunit 31630133
Created 28 Oct 2026, 16:34:33 UTC
Sent 28 Oct 2026, 16:34:38 UTC
Report deadline 2 Nov 2026, 16:34:38 UTC
Received 28 Oct 2026, 17:50:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605863
Run time 1 hours 15 min
CPU time 1 hours 7 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,146.84 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.81 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:36:22 (23364): wrapper (7.9.26016): starting
17:36:22 (23364): 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
17:36:23 (23364): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:36:23 (23364): 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
18:49:53 (23364): C:/Windows/system32/cmd.exe exited; CPU time 4058.937500
18:49:53 (23364): 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: 70546285 bytes.
Dumping objects ->
{3835437} normal block at 0x0000021C655CDE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000021C63845090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000021C63844FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000021C63845020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000021C63844F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x0000021C656160B0, 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) : {3835349} normal block at 0x0000021C6383DBB0, 8 bytes long.
 Data: <  &#206;c    > 00 00 CE 63 1C 02 00 00 
{3833959} normal block at 0x0000021C6383E4C0, 8 bytes long.
 Data: <&#224;Vge    > E0 56 67 65 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021C63841A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021C63837030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021C63846150, 16 bytes long.
 Data: <Xm&#132;c            > 58 6D 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021C63846510, 16 bytes long.
 Data: <0m&#132;c            > 30 6D 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021C6383FD90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021C63845B10, 16 bytes long.
 Data: < m&#132;c            > 08 6D 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021C638461A0, 16 bytes long.
 Data: <&#224;l&#132;c            > E0 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021C638467E0, 16 bytes long.
 Data: <&#184;l&#132;c            > B8 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021C63846100, 16 bytes long.
 Data: < l&#132;c            > 90 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C63845250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021C638464C0, 16 bytes long.
 Data: <&#248;&#185;&#130;c            > F8 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021C6383F5B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021C63845AC0, 16 bytes long.
 Data: <&#208;&#185;&#130;c            > D0 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021C638461F0, 16 bytes long.
 Data: <&#168;&#185;&#130;c            > A8 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021C63846970, 16 bytes long.
 Data: < &#185;&#130;c            > 80 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C63846920, 16 bytes long.
 Data: <X&#185;&#130;c            > 58 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021C63846470, 16 bytes long.
 Data: <0&#185;&#130;c            > 30 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021C63846060, 16 bytes long.
 Data: < &#185;&#130;c            > 08 B9 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C6383F9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021C63845A70, 16 bytes long.
 Data: <&#224;&#184;&#130;c            > E0 B8 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021C6382B8E0, 320 bytes long.
 Data: <pZ&#132;c    &#208;&#249;&#131;c    > 70 5A 84 63 1C 02 00 00 D0 F9 83 63 1C 02 00 00 
{275} normal block at 0x0000021C63845C00, 16 bytes long.
 Data: <pl&#132;c            > 70 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021C63846420, 16 bytes long.
 Data: <Hl&#132;c            > 48 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021C63840030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021C638463D0, 16 bytes long.
 Data: < l&#132;c            > 20 6C 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021C6383F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021C63846790, 16 bytes long.
 Data: <hk&#132;c            > 68 6B 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021C63846880, 16 bytes long.
 Data: <@k&#132;c            > 40 6B 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021C63845FC0, 16 bytes long.
 Data: < k&#132;c            > 18 6B 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021C63845CF0, 16 bytes long.
 Data: <&#240;j&#132;c            > F0 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C63845CA0, 16 bytes long.
 Data: <&#200;j&#132;c            > C8 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021C638468D0, 16 bytes long.
 Data: <&#160;j&#132;c            > A0 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021C63846830, 16 bytes long.
 Data: < Q&#132;c            > 00 51 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021C63845100, 40 bytes long.
 Data: <0h&#132;c    &#176;`ae    > 30 68 84 63 1C 02 00 00 B0 60 61 65 1C 02 00 00 
{261} normal block at 0x0000021C63846380, 16 bytes long.
 Data: < j&#132;c            > 80 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021C638469C0, 16 bytes long.
 Data: <Xj&#132;c            > 58 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021C6383F730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021C63846010, 16 bytes long.
 Data: <0j&#132;c            > 30 6A 84 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021C63846A30, 992 bytes long.
 Data: < `&#132;c    0&#247;&#131;c    > 10 60 84 63 1C 02 00 00 30 F7 83 63 1C 02 00 00 
{93} normal block at 0x0000021C6383F790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021C6383D8E0, 16 bytes long.
 Data: <0&#216;&#130;c            > 30 D8 82 63 1C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021C6382D830, 40 bytes long.
 Data: <&#224;&#216;&#131;c     &#247;&#131;c    > E0 D8 83 63 1C 02 00 00 90 F7 83 63 1C 02 00 00 
{70} normal block at 0x0000021C6383DFC0, 16 bytes long.
 Data: < &#234;&#162;&#219;&#247;           > 80 EA A2 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021C6383E510, 16 bytes long.
 Data: <@&#233;&#162;&#219;&#247;           > 40 E9 A2 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021C6383E010, 16 bytes long.
 Data: <&#248;W&#159;&#219;&#247;           > F8 57 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021C6383E2E0, 16 bytes long.
 Data: <&#216;W&#159;&#219;&#247;           > D8 57 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021C6383E240, 16 bytes long.
 Data: <P &#159;&#219;&#247;           > 50 04 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021C6383E380, 16 bytes long.
 Data: <0 &#159;&#219;&#247;           > 30 04 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021C6383E5B0, 16 bytes long.
 Data: <&#224; &#159;&#219;&#247;           > E0 02 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021C6383E470, 16 bytes long.
 Data: <  &#159;&#219;&#247;           > 10 04 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021C6383D890, 16 bytes long.
 Data: <p &#159;&#219;&#247;           > 70 04 9F DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021C6383E060, 16 bytes long.
 Data: < &#192; &#219;&#247;           > 18 C0 9D DB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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