Task 38666510

Name test_633-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3709_1
Workunit 31608615
Created 25 Oct 2026, 3:34:37 UTC
Sent 25 Oct 2026, 4:50:21 UTC
Report deadline 30 Oct 2026, 4:50:21 UTC
Received 25 Oct 2026, 8:36:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 3 hours 45 min 40 sec
CPU time 3 hours 42 min 13 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.04 MB
Peak swap size 8.48 GB
Peak disk usage 3.18 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
05:52:58 (14100): wrapper (7.9.26016): starting
05:52:58 (14100): 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
05:53:00 (14100): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:53:00 (14100): 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\4\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\4\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
09:36:30 (14100): C:/Windows/system32/cmd.exe exited; CPU time 13333.359375
09:36:30 (14100): 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: 277083605 bytes.
Dumping objects ->
{3835307} normal block at 0x00000212EB2E65A0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x00000212ED0B62B0, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x00000212ED0B6070, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x00000212ED0B5FB0, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x00000212ED0B5E90, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x00000212EB2E6530, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x00000212ED07DE20, 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) : {3835218} normal block at 0x00000212EB2B7A20, 8 bytes long.
 Data: <  "&#235;    > 00 00 22 EB 12 02 00 00 
{3834570} normal block at 0x00000212ED07E030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000212EB2B6C10, 8 bytes long.
 Data: <&#240;f &#237;    > F0 66 13 ED 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000212EB2C1A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000212EB2BD660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000212EB2C3880, 16 bytes long.
 Data: <&#168;A,&#235;            > A8 41 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000212EB2C3470, 16 bytes long.
 Data: < A,&#235;            > 80 41 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000212EB2BBE20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000212EB2C3830, 16 bytes long.
 Data: <XA,&#235;            > 58 41 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212EB2C33D0, 16 bytes long.
 Data: <0A,&#235;            > 30 41 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000212EB2C3420, 16 bytes long.
 Data: < A,&#235;            > 08 41 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212EB2C3560, 16 bytes long.
 Data: <&#224;@,&#235;            > E0 40 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212EB2BDAF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000212EB2C3010, 16 bytes long.
 Data: <X),&#235;            > 58 29 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212EB2BBDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000212EB2C3510, 16 bytes long.
 Data: <0),&#235;            > 30 29 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212EB2C2FC0, 16 bytes long.
 Data: < ),&#235;            > 08 29 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212EB2C2F70, 16 bytes long.
 Data: <&#224;(,&#235;            > E0 28 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212EB2C2F20, 16 bytes long.
 Data: <&#184;(,&#235;            > B8 28 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000212EB2C2ED0, 16 bytes long.
 Data: < (,&#235;            > 90 28 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212EB2C37E0, 16 bytes long.
 Data: <h(,&#235;            > 68 28 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212EB2BC000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000212EB2C31F0, 16 bytes long.
 Data: <@(,&#235;            > 40 28 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212EB2C2840, 320 bytes long.
 Data: <&#240;1,&#235;     &#192;+&#235;    > F0 31 2C EB 12 02 00 00 00 C0 2B EB 12 02 00 00 
{274} normal block at 0x00000212EB2C3240, 16 bytes long.
 Data: <&#192;@,&#235;            > C0 40 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212EB2C2BB0, 16 bytes long.
 Data: < @,&#235;            > 98 40 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000212EB2BBD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000212EB2C34C0, 16 bytes long.
 Data: <p@,&#235;            > 70 40 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000212EB2BBEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000212EB2C2E30, 16 bytes long.
 Data: <&#184;?,&#235;            > B8 3F 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000212EB2C2DE0, 16 bytes long.
 Data: < ?,&#235;            > 90 3F 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212EB2C2D90, 16 bytes long.
 Data: <h?,&#235;            > 68 3F 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000212EB2C2CF0, 16 bytes long.
 Data: <@?,&#235;            > 40 3F 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000212EB2C3790, 16 bytes long.
 Data: < ?,&#235;            > 18 3F 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212EB2C3650, 16 bytes long.
 Data: <&#240;>,&#235;            > F0 3E 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000212EB2C2CA0, 16 bytes long.
 Data: <&#176;&#220;+&#235;            > B0 DC 2B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000212EB2BDCB0, 40 bytes long.
 Data: <&#160;,,&#235;    0e.&#235;    > A0 2C 2C EB 12 02 00 00 30 65 2E EB 12 02 00 00 
{260} normal block at 0x00000212EB2C36F0, 16 bytes long.
 Data: <&#208;>,&#235;            > D0 3E 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000212EB2C3290, 16 bytes long.
 Data: <&#168;>,&#235;            > A8 3E 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000212EB2BC660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000212EB2C2B60, 16 bytes long.
 Data: < >,&#235;            > 80 3E 2C EB 12 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000212EB2C3E80, 992 bytes long.
 Data: <`+,&#235;    `&#198;+&#235;    > 60 2B 2C EB 12 02 00 00 60 C6 2B EB 12 02 00 00 
{92} normal block at 0x00000212EB2BBF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000212EB2B7AC0, 16 bytes long.
 Data: <&#192;&#223;+&#235;            > C0 DF 2B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000212EB2BDFC0, 40 bytes long.
 Data: <&#192;z+&#235;    @&#191;+&#235;    > C0 7A 2B EB 12 02 00 00 40 BF 2B EB 12 02 00 00 
{69} normal block at 0x00000212EB2B79D0, 16 bytes long.
 Data: < &#234;&#148;&#191;&#246;           > 80 EA 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000212EB2B7890, 16 bytes long.
 Data: <@&#233;&#148;&#191;&#246;           > 40 E9 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000212EB2B6D00, 16 bytes long.
 Data: <&#248;W&#145;&#191;&#246;           > F8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000212EB2B7840, 16 bytes long.
 Data: <&#216;W&#145;&#191;&#246;           > D8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000212EB2B6F80, 16 bytes long.
 Data: <P &#145;&#191;&#246;           > 50 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000212EB2B77F0, 16 bytes long.
 Data: <0 &#145;&#191;&#246;           > 30 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000212EB2B7930, 16 bytes long.
 Data: <&#224; &#145;&#191;&#246;           > E0 02 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000212EB2B77A0, 16 bytes long.
 Data: <  &#145;&#191;&#246;           > 10 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000212EB2B7110, 16 bytes long.
 Data: <p &#145;&#191;&#246;           > 70 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000212EB2B76B0, 16 bytes long.
 Data: < &#192;&#143;&#191;&#246;           > 18 C0 8F BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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