Task 38687426

Name test_3-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3824_0
Workunit 31628817
Created 28 Oct 2026, 7:46:09 UTC
Sent 28 Oct 2026, 7:46:26 UTC
Report deadline 2 Nov 2026, 7:46:26 UTC
Received 28 Oct 2026, 8:53:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 41 sec
CPU time 32 min 20 sec
Validate state Valid
Credit 60,000.00
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 709.64 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
09:19:13 (35440): wrapper (7.9.26016): starting
09:19:13 (35440): 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
09:19:16 (35440): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:19:16 (35440): 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
09:52:56 (35440): C:/Windows/system32/cmd.exe exited; CPU time 1940.093750
09:52:56 (35440): 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: 44564715 bytes.
Dumping objects ->
{3835307} normal block at 0x000002A008AF72D0, 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 0x000002A00A7D4230, 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 0x000002A00A7D48F0, 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 0x000002A00A7D46B0, 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 0x000002A00A7D4B90, 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 0x000002A008AF6F50, 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 0x000002A00A79D6C0, 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 0x000002A008AC7960, 8 bytes long.
 Data: <    &#160;   > 00 00 A1 08 A0 02 00 00 
{3834570} normal block at 0x000002A00A79CFE0, 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 0x000002A008AC7D20, 8 bytes long.
 Data: <&#176;5~ &#160;   > B0 35 7E 0A A0 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A008AD2B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A008ABB780, 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 0x000002A008AD3B90, 16 bytes long.
 Data: < M&#173; &#160;           > 88 4D AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A008AD49F0, 16 bytes long.
 Data: <`M&#173; &#160;           > 60 4D AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A008ACD030, 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 0x000002A008AD4950, 16 bytes long.
 Data: <8M&#173; &#160;           > 38 4D AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A008AD49A0, 16 bytes long.
 Data: < M&#173; &#160;           > 10 4D AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A008AD4770, 16 bytes long.
 Data: <&#232;L&#173; &#160;           > E8 4C AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A008AD3EB0, 16 bytes long.
 Data: <&#192;L&#173; &#160;           > C0 4C AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A008ACEDB0, 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 0x000002A008AD46D0, 16 bytes long.
 Data: <X&#207;&#171; &#160;           > 58 CF AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A008ACD630, 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 0x000002A008AD3FF0, 16 bytes long.
 Data: <0&#207;&#171; &#160;           > 30 CF AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A008AD4680, 16 bytes long.
 Data: < &#207;&#171; &#160;           > 08 CF AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A008AD3B40, 16 bytes long.
 Data: <&#224;&#206;&#171; &#160;           > E0 CE AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A008AD3BE0, 16 bytes long.
 Data: <&#184;&#206;&#171; &#160;           > B8 CE AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A008AD3E60, 16 bytes long.
 Data: < &#206;&#171; &#160;           > 90 CE AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A008AD3E10, 16 bytes long.
 Data: <h&#206;&#171; &#160;           > 68 CE AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A008ACD510, 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 0x000002A008AD4900, 16 bytes long.
 Data: <@&#206;&#171; &#160;           > 40 CE AB 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A008ABCE40, 320 bytes long.
 Data: < I&#173; &#160;    &#213;&#172; &#160;   > 00 49 AD 08 A0 02 00 00 10 D5 AC 08 A0 02 00 00 
{274} normal block at 0x000002A008AD3DC0, 16 bytes long.
 Data: <&#160;L&#173; &#160;           > A0 4C AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A008AD4630, 16 bytes long.
 Data: <xL&#173; &#160;           > 78 4C AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A008ACD450, 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 0x000002A008AD4540, 16 bytes long.
 Data: <PL&#173; &#160;           > 50 4C AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A008ACD330, 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 0x000002A008AD3CD0, 16 bytes long.
 Data: < K&#173; &#160;           > 98 4B AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A008AD4450, 16 bytes long.
 Data: <pK&#173; &#160;           > 70 4B AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A008AD3C80, 16 bytes long.
 Data: <HK&#173; &#160;           > 48 4B AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A008AD45E0, 16 bytes long.
 Data: < K&#173; &#160;           > 20 4B AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A008AD3AF0, 16 bytes long.
 Data: <&#248;J&#173; &#160;           > F8 4A AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A008AD40E0, 16 bytes long.
 Data: <&#208;J&#173; &#160;           > D0 4A AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A008AD48B0, 16 bytes long.
 Data: <@&#237;&#172; &#160;           > 40 ED AC 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A008ACED40, 40 bytes long.
 Data: <&#176;H&#173; &#160;   Po&#175; &#160;   > B0 48 AD 08 A0 02 00 00 50 6F AF 08 A0 02 00 00 
{260} normal block at 0x000002A008AD4090, 16 bytes long.
 Data: <&#176;J&#173; &#160;           > B0 4A AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A008AD4720, 16 bytes long.
 Data: < J&#173; &#160;           > 88 4A AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A008ACD1B0, 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 0x000002A008AD4810, 16 bytes long.
 Data: <`J&#173; &#160;           > 60 4A AD 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A008AD4A60, 992 bytes long.
 Data: < H&#173; &#160;   &#176;&#209;&#172; &#160;   > 10 48 AD 08 A0 02 00 00 B0 D1 AC 08 A0 02 00 00 
{92} normal block at 0x000002A008ACD3F0, 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 0x000002A008AC8860, 16 bytes long.
 Data: <&#240;&#235;&#172; &#160;           > F0 EB AC 08 A0 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A008ACEBF0, 40 bytes long.
 Data: <` &#172; &#160;   &#240;&#211;&#172; &#160;   > 60 88 AC 08 A0 02 00 00 F0 D3 AC 08 A0 02 00 00 
{69} normal block at 0x000002A008AC8270, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A008AC8630, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A008AC85E0, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A008AC7CD0, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A008AC8590, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A008AC8130, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A008AC7FA0, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A008AC8770, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A008AC84F0, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A008AC86D0, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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