Task 38679237

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1893_1
Workunit 31620974
Created 26 Oct 2026, 19:54:09 UTC
Sent 26 Oct 2026, 19:54:19 UTC
Report deadline 31 Oct 2026, 19:54:19 UTC
Received 26 Oct 2026, 20:29:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 33 min 55 sec
CPU time 32 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.33 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:56:10 (11148): wrapper (7.9.26016): starting
20:56:10 (11148): 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
20:56:11 (11148): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:56:11 (11148): 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:\BoincData\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 'D:\BoincData\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
21:28:31 (11148): C:/Windows/system32/cmd.exe exited; CPU time 1925.406250
21:28:31 (11148): 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: 27163245 bytes.
Dumping objects ->
{3835268} normal block at 0x00000143CA6F1410, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x00000143CA838C20, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x00000143CA838740, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x00000143CA838BC0, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x00000143CA838560, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x00000143CA6F0FB0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x00000143CA800540, 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) : {3835179} normal block at 0x00000143C8B874B0, 8 bytes long.
 Data: <  &#182;&#200;C   > 00 00 B6 C8 43 01 00 00 
{3834558} normal block at 0x00000143CA7FFDB0, 102 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 0x00000143C8B87EB0, 8 bytes long.
 Data: <`  &#202;C   > 60 98 7F CA 43 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000143C8B94590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000143C8B8D7C0, 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 0x00000143C8B95710, 16 bytes long.
 Data: <8h&#185;&#200;C           > 38 68 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000143C8B95440, 16 bytes long.
 Data: < h&#185;&#200;C           > 10 68 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000143C8B8E3D0, 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 0x00000143C8B95B20, 16 bytes long.
 Data: <&#232;g&#185;&#200;C           > E8 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000143C8B95AD0, 16 bytes long.
 Data: <&#192;g&#185;&#200;C           > C0 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000143C8B95D50, 16 bytes long.
 Data: < g&#185;&#200;C           > 98 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000143C8B96020, 16 bytes long.
 Data: <pg&#185;&#200;C           > 70 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000143C8B8C940, 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 0x00000143C8B95E40, 16 bytes long.
 Data: <X&#215;&#184;&#200;C           > 58 D7 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000143C8B8DDD0, 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 0x00000143C8B955D0, 16 bytes long.
 Data: <0&#215;&#184;&#200;C           > 30 D7 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000143C8B953F0, 16 bytes long.
 Data: < &#215;&#184;&#200;C           > 08 D7 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000143C8B96250, 16 bytes long.
 Data: <&#224;&#214;&#184;&#200;C           > E0 D6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000143C8B956C0, 16 bytes long.
 Data: <&#184;&#214;&#184;&#200;C           > B8 D6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000143C8B95940, 16 bytes long.
 Data: < &#214;&#184;&#200;C           > 90 D6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000143C8B960C0, 16 bytes long.
 Data: <h&#214;&#184;&#200;C           > 68 D6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000143C8B8E730, 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 0x00000143C8B953A0, 16 bytes long.
 Data: <@&#214;&#184;&#200;C           > 40 D6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000143C8B8D640, 320 bytes long.
 Data: <&#160;S&#185;&#200;C   0&#231;&#184;&#200;C   > A0 53 B9 C8 43 01 00 00 30 E7 B8 C8 43 01 00 00 
{271} normal block at 0x00000143C8B95A80, 16 bytes long.
 Data: <Pg&#185;&#200;C           > 50 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000143C8B95F30, 16 bytes long.
 Data: <(g&#185;&#200;C           > 28 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000143C8B8DC50, 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 0x00000143C8B95E90, 16 bytes long.
 Data: < g&#185;&#200;C           > 00 67 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000143C8B8E610, 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 0x00000143C8B95990, 16 bytes long.
 Data: <Hf&#185;&#200;C           > 48 66 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000143C8B95A30, 16 bytes long.
 Data: < f&#185;&#200;C           > 20 66 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000143C8B962F0, 16 bytes long.
 Data: <&#248;e&#185;&#200;C           > F8 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000143C8B958F0, 16 bytes long.
 Data: <&#208;e&#185;&#200;C           > D0 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000143C8B95DF0, 16 bytes long.
 Data: <&#168;e&#185;&#200;C           > A8 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000143C8B95800, 16 bytes long.
 Data: < e&#185;&#200;C           > 80 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000143C8B95C10, 16 bytes long.
 Data: <&#240;&#199;&#184;&#200;C           > F0 C7 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000143C8B8C7F0, 40 bytes long.
 Data: < \&#185;&#200;C   &#176; o&#202;C   > 10 5C B9 C8 43 01 00 00 B0 0F 6F CA 43 01 00 00 
{257} normal block at 0x00000143C8B957B0, 16 bytes long.
 Data: <`e&#185;&#200;C           > 60 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000143C8B95620, 16 bytes long.
 Data: <8e&#185;&#200;C           > 38 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000143C8B8E430, 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 0x00000143C8B958A0, 16 bytes long.
 Data: < e&#185;&#200;C           > 10 65 B9 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000143C8B96510, 992 bytes long.
 Data: <&#160;X&#185;&#200;C   0&#228;&#184;&#200;C   > A0 58 B9 C8 43 01 00 00 30 E4 B8 C8 43 01 00 00 
{89} normal block at 0x00000143C8B8DAD0, 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 0x00000143C8B879B0, 16 bytes long.
 Data: <0&#198;&#184;&#200;C           > 30 C6 B8 C8 43 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000143C8B8C630, 40 bytes long.
 Data: <&#176;y&#184;&#200;C   &#208;&#218;&#184;&#200;C   > B0 79 B8 C8 43 01 00 00 D0 DA B8 C8 43 01 00 00 
{66} normal block at 0x00000143C8B87410, 16 bytes long.
 Data: < &#234;x&#235;&#246;           > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000143C8B87E60, 16 bytes long.
 Data: <@&#233;x&#235;&#246;           > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000143C8B87BE0, 16 bytes long.
 Data: <&#248;Wu&#235;&#246;           > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000143C8B87640, 16 bytes long.
 Data: <&#216;Wu&#235;&#246;           > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000143C8B88270, 16 bytes long.
 Data: <P u&#235;&#246;           > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000143C8B88040, 16 bytes long.
 Data: <0 u&#235;&#246;           > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000143C8B875F0, 16 bytes long.
 Data: <&#224; u&#235;&#246;           > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000143C8B87E10, 16 bytes long.
 Data: <  u&#235;&#246;           > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000143C8B87F00, 16 bytes long.
 Data: <p u&#235;&#246;           > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000143C8B873C0, 16 bytes long.
 Data: < &#192;s&#235;&#246;           > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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