Task 38681064

Name test_601-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5039_0
Workunit 31622753
Created 27 Oct 2026, 2:28:49 UTC
Sent 27 Oct 2026, 2:28:56 UTC
Report deadline 1 Nov 2026, 2:28:56 UTC
Received 27 Oct 2026, 2:55:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 8 sec
CPU time 25 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.04 MB
Peak swap size 6.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:30:10 (6920): wrapper (7.9.26016): starting
22:30:10 (6920): 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
22:30:11 (6920): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:30:11 (6920): 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 'C:\ProgramData\BOINC\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 'C:\ProgramData\BOINC\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
22:55:26 (6920): C:/Windows/system32/cmd.exe exited; CPU time 1506.046875
22:55:26 (6920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26903273 bytes.
Dumping objects ->
{3835542} normal block at 0x0000021CED4B6550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000021CED4B68D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x0000021CED4B69B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x0000021CED4B67F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x0000021CED4B6BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x0000021CEF2D6C70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000021CEF2EEDF0, 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) : {3835453} normal block at 0x0000021CED4AD7F0, 8 bytes long.
 Data: <  &#163;&#237;    > 00 00 A3 ED 1C 02 00 00 
{3834690} normal block at 0x0000021CEF2EF580, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000021CED4ADDE0, 8 bytes long.
 Data: <&#176;&#228;.&#239;    > B0 E4 2E EF 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021CED4B18F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021CED49F360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021CED4B5B00, 16 bytes long.
 Data: < cK&#237;            > 98 63 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021CED4B5510, 16 bytes long.
 Data: <pcK&#237;            > 70 63 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021CED4AF540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021CED4B58D0, 16 bytes long.
 Data: <HcK&#237;            > 48 63 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021CED4B5830, 16 bytes long.
 Data: < cK&#237;            > 20 63 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021CED4B5A60, 16 bytes long.
 Data: <&#248;bK&#237;            > F8 62 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CED4B54C0, 16 bytes long.
 Data: <&#208;bK&#237;            > D0 62 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021CED4B65C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021CED4B5150, 16 bytes long.
 Data: <h&#235;I&#237;            > 68 EB 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021CED4AF7E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021CED4B5C90, 16 bytes long.
 Data: <@&#235;I&#237;            > 40 EB 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021CED4B5420, 16 bytes long.
 Data: < &#235;I&#237;            > 18 EB 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021CED4B5380, 16 bytes long.
 Data: <&#240;&#234;I&#237;            > F0 EA 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021CED4B52E0, 16 bytes long.
 Data: <&#200;&#234;I&#237;            > C8 EA 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021CED4B6000, 16 bytes long.
 Data: <&#160;&#234;I&#237;            > A0 EA 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021CED4B5290, 16 bytes long.
 Data: <x&#234;I&#237;            > 78 EA 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CED4AFBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021CED4B53D0, 16 bytes long.
 Data: <P&#234;I&#237;            > 50 EA 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021CED49EA50, 320 bytes long.
 Data: <&#208;SK&#237;    &#160;&#251;J&#237;    > D0 53 4B ED 1C 02 00 00 A0 FB 4A ED 1C 02 00 00 
{275} normal block at 0x0000021CED4B5E70, 16 bytes long.
 Data: <&#176;bK&#237;            > B0 62 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021CED4B5650, 16 bytes long.
 Data: < bK&#237;            > 88 62 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021CED4AFAE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021CED4B5DD0, 16 bytes long.
 Data: <`bK&#237;            > 60 62 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021CED4AF4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021CED4B5470, 16 bytes long.
 Data: <&#168;aK&#237;            > A8 61 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021CED4B5D80, 16 bytes long.
 Data: < aK&#237;            > 80 61 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021CED4B5240, 16 bytes long.
 Data: <XaK&#237;            > 58 61 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021CED4B5600, 16 bytes long.
 Data: <0aK&#237;            > 30 61 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021CED4B5880, 16 bytes long.
 Data: < aK&#237;            > 08 61 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021CED4B5100, 16 bytes long.
 Data: <&#224;`K&#237;            > E0 60 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021CED4B51F0, 16 bytes long.
 Data: <p&#216;I&#237;            > 70 D8 49 ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021CED49D870, 40 bytes long.
 Data: <&#240;QK&#237;    pl-&#239;    > F0 51 4B ED 1C 02 00 00 70 6C 2D EF 1C 02 00 00 
{261} normal block at 0x0000021CED4B5C40, 16 bytes long.
 Data: <&#192;`K&#237;            > C0 60 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021CED4B5D30, 16 bytes long.
 Data: < `K&#237;            > 98 60 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021CED4AF600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021CED4B5330, 16 bytes long.
 Data: <p`K&#237;            > 70 60 4B ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021CED4B6070, 992 bytes long.
 Data: <0SK&#237;     &#246;J&#237;    > 30 53 4B ED 1C 02 00 00 00 F6 4A ED 1C 02 00 00 
{93} normal block at 0x0000021CED4AFFC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021CED4AE1A0, 16 bytes long.
 Data: <&#240; J&#237;            > F0 02 4A ED 1C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021CED4A02F0, 40 bytes long.
 Data: <&#160;&#225;J&#237;    &#192;&#255;J&#237;    > A0 E1 4A ED 1C 02 00 00 C0 FF 4A ED 1C 02 00 00 
{70} normal block at 0x0000021CED4AD8E0, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021CED4AE4C0, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021CED4AE380, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021CED4ADC00, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021CED4ADA70, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021CED4AE100, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021CED4AE1F0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021CED4AE010, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021CED4AE470, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021CED4AD700, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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