Task 38699523

Name test_951-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0708_0
Workunit 31639916
Created 4 Nov 2026, 13:27:16 UTC
Sent 4 Nov 2026, 13:27:20 UTC
Report deadline 9 Nov 2026, 13:27:20 UTC
Received 4 Nov 2026, 17:07:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 13 min 54 sec
CPU time 1 hours 9 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 649.43 MB
Peak swap size 2.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:54:25 (7820): wrapper (7.9.26016): starting
16:54:25 (7820): 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
16:54:27 (7820): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:54:27 (7820): 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
18:06:36 (7820): C:/Windows/system32/cmd.exe exited; CPU time 4153.859375
18:06:36 (7820): 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: 48595217 bytes.
Dumping objects ->
{3835183} normal block at 0x0000015681AE66E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000015681AE6520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000015681AE62F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x0000015681AE7080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x0000015681AE6C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x00000156836A4550, 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) : {3835095} normal block at 0x0000015681AB6300, 8 bytes long.
 Data: <  &#167; V   > 00 00 A7 81 56 01 00 00 
{3833951} normal block at 0x0000015681AB6120, 8 bytes long.
 Data: <  p V   > 00 20 70 83 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000015681AC0C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015681AC1B80, 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 0x0000015681AC2310, 16 bytes long.
 Data: < 1&#172; V           > 18 31 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015681AC24A0, 16 bytes long.
 Data: <&#240;0&#172; V           > F0 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015681ABB980, 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 0x0000015681AC2B80, 16 bytes long.
 Data: <&#200;0&#172; V           > C8 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015681AC2810, 16 bytes long.
 Data: <&#160;0&#172; V           > A0 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015681AC2A90, 16 bytes long.
 Data: <x0&#172; V           > 78 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015681AC1FF0, 16 bytes long.
 Data: <P0&#172; V           > 50 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015681ABA4A0, 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 0x0000015681AC29F0, 16 bytes long.
 Data: <  &#172; V           > 18 1B AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015681ABC0A0, 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 0x0000015681AC27C0, 16 bytes long.
 Data: <&#240; &#172; V           > F0 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015681AC2770, 16 bytes long.
 Data: <&#200; &#172; V           > C8 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015681AC22C0, 16 bytes long.
 Data: <&#160; &#172; V           > A0 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015681AC2630, 16 bytes long.
 Data: <x &#172; V           > 78 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015681AC2270, 16 bytes long.
 Data: <P &#172; V           > 50 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015681AC21D0, 16 bytes long.
 Data: <( &#172; V           > 28 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015681ABC040, 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 0x0000015681AC29A0, 16 bytes long.
 Data: <  &#172; V           > 00 1A AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015681AC1A00, 320 bytes long.
 Data: <&#160;)&#172; V   @&#192;&#171; V   > A0 29 AC 81 56 01 00 00 40 C0 AB 81 56 01 00 00 
{271} normal block at 0x0000015681AC2180, 16 bytes long.
 Data: <00&#172; V           > 30 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015681AC2220, 16 bytes long.
 Data: < 0&#172; V           > 08 30 AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015681ABBFE0, 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 0x0000015681AC2AE0, 16 bytes long.
 Data: <&#224;/&#172; V           > E0 2F AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015681ABB8C0, 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 0x0000015681AC1E10, 16 bytes long.
 Data: <(/&#172; V           > 28 2F AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015681AC26D0, 16 bytes long.
 Data: < /&#172; V           > 00 2F AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015681AC1CD0, 16 bytes long.
 Data: <&#216;.&#172; V           > D8 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015681AC2450, 16 bytes long.
 Data: <&#176;.&#172; V           > B0 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015681AC25E0, 16 bytes long.
 Data: < .&#172; V           > 88 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015681AC2720, 16 bytes long.
 Data: <`.&#172; V           > 60 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015681AC2680, 16 bytes long.
 Data: <&#208;&#166;&#171; V           > D0 A6 AB 81 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015681ABA6D0, 40 bytes long.
 Data: < &&#172; V   PEj V   > 80 26 AC 81 56 01 00 00 50 45 6A 83 56 01 00 00 
{257} normal block at 0x0000015681AC2540, 16 bytes long.
 Data: <@.&#172; V           > 40 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015681AC2A40, 16 bytes long.
 Data: < .&#172; V           > 18 2E AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015681ABBEC0, 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 0x0000015681AC2130, 16 bytes long.
 Data: <&#240;-&#172; V           > F0 2D AC 81 56 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015681AC2DF0, 992 bytes long.
 Data: <0!&#172; V   &#192;&#190;&#171; V   > 30 21 AC 81 56 01 00 00 C0 BE AB 81 56 01 00 00 
{89} normal block at 0x0000015681ABB740, 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 0x0000015681AB5C20, 16 bytes long.
 Data: <p &#171; V           > 70 A2 AB 81 56 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000015681ABA270, 40 bytes long.
 Data: < \&#171; V   @&#183;&#171; V   > 20 5C AB 81 56 01 00 00 40 B7 AB 81 56 01 00 00 
{66} normal block at 0x0000015681AB55E0, 16 bytes long.
 Data: < &#234;&#156;]&#247;           > 80 EA 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015681AB5B80, 16 bytes long.
 Data: <@&#233;&#156;]&#247;           > 40 E9 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015681AB5950, 16 bytes long.
 Data: <&#248;W ]&#247;           > F8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015681AB5FE0, 16 bytes long.
 Data: <&#216;W ]&#247;           > D8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015681AB5EF0, 16 bytes long.
 Data: <P  ]&#247;           > 50 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015681AB6260, 16 bytes long.
 Data: <0  ]&#247;           > 30 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015681AB5590, 16 bytes long.
 Data: <&#224;  ]&#247;           > E0 02 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015681AB5860, 16 bytes long.
 Data: <   ]&#247;           > 10 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015681AB5900, 16 bytes long.
 Data: <p  ]&#247;           > 70 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015681AB5450, 16 bytes long.
 Data: < &#192;&#151;]&#247;           > 18 C0 97 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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