Task 38678289

Name test_709-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1003_0
Workunit 31620115
Created 26 Oct 2026, 16:57:22 UTC
Sent 26 Oct 2026, 16:57:23 UTC
Report deadline 31 Oct 2026, 16:57:23 UTC
Received 26 Oct 2026, 18:32:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 46 min 15 sec
CPU time 44 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 659.96 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:45:49 (9916): wrapper (7.9.26016): starting
13:45:49 (9916): 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
13:45:50 (9916): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:45:50 (9916): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
14:31:35 (9916): C:/Windows/system32/cmd.exe exited; CPU time 2640.750000
14:31:35 (9916): 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: 37211233 bytes.
Dumping objects ->
{3835191} normal block at 0x0000018B5F9D70E0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x0000018B615270A0, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x0000018B61526CE0, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x0000018B615273A0, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x0000018B61526E60, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x0000018B5F9D7FC0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x0000018B5F9A8BD0, 8 bytes long.
 Data: <   _&#139;   > 00 00 98 5F 8B 01 00 00 
{3833953} normal block at 0x0000018B5F9A8720, 8 bytes long.
 Data: <`&#204;Na&#139;   > 60 CC 4E 61 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000018B5F9B1CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018B5F9AE110, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000018B5F9B3940, 16 bytes long.
 Data: < O&#155;_&#139;           > 18 4F 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018B5F9B2F40, 16 bytes long.
 Data: <&#240;N&#155;_&#139;           > F0 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018B5F9AE4F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000018B5F9B3580, 16 bytes long.
 Data: <&#200;N&#155;_&#139;           > C8 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018B5F9B2E50, 16 bytes long.
 Data: <&#160;N&#155;_&#139;           > A0 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018B5F9B3350, 16 bytes long.
 Data: <xN&#155;_&#139;           > 78 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018B5F9B38F0, 16 bytes long.
 Data: <PN&#155;_&#139;           > 50 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018B5F9ACCE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000018B5F9B39E0, 16 bytes long.
 Data: <&#168;&#224;&#154;_&#139;           > A8 E0 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018B5F9AF030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000018B5F9B33A0, 16 bytes long.
 Data: < &#224;&#154;_&#139;           > 80 E0 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018B5F9B3530, 16 bytes long.
 Data: <X&#224;&#154;_&#139;           > 58 E0 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018B5F9B3AD0, 16 bytes long.
 Data: <0&#224;&#154;_&#139;           > 30 E0 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018B5F9B2EA0, 16 bytes long.
 Data: < &#224;&#154;_&#139;           > 08 E0 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018B5F9B3260, 16 bytes long.
 Data: <&#224;&#223;&#154;_&#139;           > E0 DF 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018B5F9B2E00, 16 bytes long.
 Data: <&#184;&#223;&#154;_&#139;           > B8 DF 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018B5F9AE8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000018B5F9B31C0, 16 bytes long.
 Data: < &#223;&#154;_&#139;           > 90 DF 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018B5F9ADF90, 320 bytes long.
 Data: <&#192;1&#155;_&#139;   &#176;&#232;&#154;_&#139;   > C0 31 9B 5F 8B 01 00 00 B0 E8 9A 5F 8B 01 00 00 
{272} normal block at 0x0000018B5F9B3170, 16 bytes long.
 Data: <0N&#155;_&#139;           > 30 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018B5F9B3A30, 16 bytes long.
 Data: < N&#155;_&#139;           > 08 4E 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018B5F9AECD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000018B5F9B3620, 16 bytes long.
 Data: <&#224;M&#155;_&#139;           > E0 4D 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018B5F9AE730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000018B5F9B2DB0, 16 bytes long.
 Data: <(M&#155;_&#139;           > 28 4D 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018B5F9B2D60, 16 bytes long.
 Data: < M&#155;_&#139;           > 00 4D 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018B5F9B34E0, 16 bytes long.
 Data: <&#216;L&#155;_&#139;           > D8 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018B5F9B3210, 16 bytes long.
 Data: <&#176;L&#155;_&#139;           > B0 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018B5F9B3300, 16 bytes long.
 Data: < L&#155;_&#139;           > 88 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018B5F9B38A0, 16 bytes long.
 Data: <`L&#155;_&#139;           > 60 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018B5F9B2CC0, 16 bytes long.
 Data: < &#210;&#154;_&#139;           > 20 D2 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018B5F9AD220, 40 bytes long.
 Data: <&#192;,&#155;_&#139;   &#192;  _&#139;   > C0 2C 9B 5F 8B 01 00 00 C0 7F 9D 5F 8B 01 00 00 
{258} normal block at 0x0000018B5F9B3490, 16 bytes long.
 Data: <@L&#155;_&#139;           > 40 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018B5F9B32B0, 16 bytes long.
 Data: < L&#155;_&#139;           > 18 4C 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018B5F9AEF70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000018B5F9B3440, 16 bytes long.
 Data: <&#240;K&#155;_&#139;           > F0 4B 9B 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018B5F9B4BF0, 992 bytes long.
 Data: <@4&#155;_&#139;   p&#239;&#154;_&#139;   > 40 34 9B 5F 8B 01 00 00 70 EF 9A 5F 8B 01 00 00 
{90} normal block at 0x0000018B5F9AE7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000018B5F9A86D0, 16 bytes long.
 Data: <&#176;&#209;&#154;_&#139;           > B0 D1 9A 5F 8B 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000018B5F9AD1B0, 40 bytes long.
 Data: <&#208;&#134;&#154;_&#139;   &#240;&#231;&#154;_&#139;   > D0 86 9A 5F 8B 01 00 00 F0 E7 9A 5F 8B 01 00 00 
{67} normal block at 0x0000018B5F9A7FA0, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018B5F9A8B80, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018B5F9A8A90, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018B5F9A8220, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018B5F9A8DB0, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018B5F9A8810, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018B5F9A8860, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018B5F9A8A40, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018B5F9A81D0, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018B5F9A8900, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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