Task 38655657

Name test_328-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8159_0
Workunit 31599410
Created 24 Oct 2026, 9:48:16 UTC
Sent 24 Oct 2026, 9:48:20 UTC
Report deadline 29 Oct 2026, 9:48:20 UTC
Received 24 Oct 2026, 13:54:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653922
Run time 1 hours 11 min 4 sec
CPU time 1 hours 5 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 650.73 MB
Peak swap size 2.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:38 (5864): wrapper (7.9.26016): starting
14:44:38 (5864): 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
14:44:42 (5864): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:42 (5864): 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 'D:\boinc\data\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 'D:\boinc\data\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
15:53:50 (5864): C:/Windows/system32/cmd.exe exited; CPU time 3913.703125
15:53:50 (5864): 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: 41383009 bytes.
Dumping objects ->
{3835414} normal block at 0x000001A623AC0260, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835403} normal block at 0x000001A625640660, 32 bytes long.
 Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835392} normal block at 0x000001A625641680, 32 bytes long.
 Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74 
{3835381} normal block at 0x000001A625640C60, 32 bytes long.
 Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835370} normal block at 0x000001A6256412C0, 32 bytes long.
 Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C 
{3835339} normal block at 0x000001A623AC0110, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x000001A623AB8330, 8 bytes long.
 Data: <  &#166;#&#166;   > 00 00 A6 23 A6 01 00 00 
{3833945} normal block at 0x000001A623AB7DE0, 8 bytes long.
 Data: < e&#170;#&#166;   > 90 65 AA 23 A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A623ABF1C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A623AC0E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001A623AC0F50, 16 bytes long.
 Data: <8"&#172;#&#166;           > 38 22 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A623AC1130, 16 bytes long.
 Data: < "&#172;#&#166;           > 10 22 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A623ABC010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001A623AC18B0, 16 bytes long.
 Data: <&#232;!&#172;#&#166;           > E8 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A623AC1720, 16 bytes long.
 Data: <&#192;!&#172;#&#166;           > C0 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A623AC1EA0, 16 bytes long.
 Data: < !&#172;#&#166;           > 98 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A623AC15E0, 16 bytes long.
 Data: <p!&#172;#&#166;           > 70 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A623AC03B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001A623AC1E50, 16 bytes long.
 Data: <&#232; &#172;#&#166;           > E8 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A623ABC310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001A623AC1E00, 16 bytes long.
 Data: <&#192; &#172;#&#166;           > C0 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A623AC13B0, 16 bytes long.
 Data: <  &#172;#&#166;           > 98 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A623AC1220, 16 bytes long.
 Data: <p &#172;#&#166;           > 70 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A623AC16D0, 16 bytes long.
 Data: <H &#172;#&#166;           > 48 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A623AC1310, 16 bytes long.
 Data: <  &#172;#&#166;           > 20 0D AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A623AC1360, 16 bytes long.
 Data: <&#248; &#172;#&#166;           > F8 0C AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A623ABCA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001A623AC10E0, 16 bytes long.
 Data: <&#208; &#172;#&#166;           > D0 0C AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A623AC0CD0, 320 bytes long.
 Data: <&#224; &#172;#&#166;    &#202;&#171;#&#166;   > E0 10 AC 23 A6 01 00 00 90 CA AB 23 A6 01 00 00 
{268} normal block at 0x000001A623AC12C0, 16 bytes long.
 Data: <P!&#172;#&#166;           > 50 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A623AC1540, 16 bytes long.
 Data: <(!&#172;#&#166;           > 28 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A623ABC670, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001A623AC1D10, 16 bytes long.
 Data: < !&#172;#&#166;           > 00 21 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A623ABCAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001A623AC1950, 16 bytes long.
 Data: <H &#172;#&#166;           > 48 20 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A623AC1DB0, 16 bytes long.
 Data: <  &#172;#&#166;           > 20 20 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A623AC1A40, 16 bytes long.
 Data: <&#248; &#172;#&#166;           > F8 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A623AC1630, 16 bytes long.
 Data: <&#208; &#172;#&#166;           > D0 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A623AC14A0, 16 bytes long.
 Data: <&#168; &#172;#&#166;           > A8 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A623AC1C70, 16 bytes long.
 Data: <  &#172;#&#166;           > 80 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A623AC1590, 16 bytes long.
 Data: <  &#172;#&#166;           > 80 01 AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A623AC0180, 40 bytes long.
 Data: <  &#172;#&#166;     &#172;#&#166;   > 90 15 AC 23 A6 01 00 00 10 01 AC 23 A6 01 00 00 
{254} normal block at 0x000001A623AC1D60, 16 bytes long.
 Data: <` &#172;#&#166;           > 60 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A623AC1090, 16 bytes long.
 Data: <8 &#172;#&#166;           > 38 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A623ABCBB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001A623AC14F0, 16 bytes long.
 Data: <  &#172;#&#166;           > 10 1F AC 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A623AC1F10, 992 bytes long.
 Data: <&#240; &#172;#&#166;   &#176;&#203;&#171;#&#166;   > F0 14 AC 23 A6 01 00 00 B0 CB AB 23 A6 01 00 00 
{86} normal block at 0x000001A623ABC130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001A623AB7ED0, 16 bytes long.
 Data: <0n&#170;#&#166;           > 30 6E AA 23 A6 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001A623AA6E30, 40 bytes long.
 Data: <&#208;~&#171;#&#166;   0&#193;&#171;#&#166;   > D0 7E AB 23 A6 01 00 00 30 C1 AB 23 A6 01 00 00 
{63} normal block at 0x000001A623AB82E0, 16 bytes long.
 Data: < &#234;&#211;&#205;&#247;           > 80 EA D3 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A623AB8510, 16 bytes long.
 Data: <@&#233;&#211;&#205;&#247;           > 40 E9 D3 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A623AB8100, 16 bytes long.
 Data: <&#248;W&#208;&#205;&#247;           > F8 57 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A623AB7BB0, 16 bytes long.
 Data: <&#216;W&#208;&#205;&#247;           > D8 57 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A623AB7B10, 16 bytes long.
 Data: <P &#208;&#205;&#247;           > 50 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A623AB8650, 16 bytes long.
 Data: <0 &#208;&#205;&#247;           > 30 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A623AB8060, 16 bytes long.
 Data: <&#224; &#208;&#205;&#247;           > E0 02 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A623AB81A0, 16 bytes long.
 Data: <  &#208;&#205;&#247;           > 10 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A623AB7930, 16 bytes long.
 Data: <p &#208;&#205;&#247;           > 70 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A623AB7E80, 16 bytes long.
 Data: < &#192;&#206;&#205;&#247;           > 18 C0 CE CD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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