Task 38669226

Name test_184-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1419_1
Workunit 31611541
Created 25 Oct 2026, 13:59:56 UTC
Sent 25 Oct 2026, 14:00:03 UTC
Report deadline 30 Oct 2026, 14:00:03 UTC
Received 25 Oct 2026, 14:38:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626472
Run time 18 min 11 sec
CPU time 17 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 60,322.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.15 MB
Peak swap size 13.07 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:20:34 (35008): wrapper (7.9.26016): starting
15:20:34 (35008): 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
15:20:35 (35008): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:20:35 (35008): 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\32\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\32\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
15:37:56 (35008): C:/Windows/system32/cmd.exe exited; CPU time 1026.484375
15:37:56 (35008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 26590765 bytes.
Dumping objects ->
{3835490} normal block at 0x000001C421DAD260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001C421DAD650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001C421DAD960, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x000001C421DAD880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001C4201B51F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x000001C421DFB7C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835402} normal block at 0x000001C4201AE0A0, 8 bytes long.
 Data: <    &#196;   > 00 00 18 20 C4 01 00 00 
{3833963} normal block at 0x000001C4201ADC40, 8 bytes long.
 Data: <PQ&#229;!&#196;   > 50 51 E5 21 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C4201B1CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C4201A67D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001C4201B60D0, 16 bytes long.
 Data: <&#248;o  &#196;           > F8 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C4201B62B0, 16 bytes long.
 Data: <&#208;o  &#196;           > D0 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C4201AF7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001C4201B69E0, 16 bytes long.
 Data: <&#168;o  &#196;           > A8 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C4201B6C60, 16 bytes long.
 Data: < o  &#196;           > 80 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C4201B5EF0, 16 bytes long.
 Data: <Xo  &#196;           > 58 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C4201B6710, 16 bytes long.
 Data: <0o  &#196;           > 30 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C4201B50A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001C4201B6260, 16 bytes long.
 Data: <&#168;&#248;  &#196;           > A8 F8 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C4201AF750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001C4201B6AD0, 16 bytes long.
 Data: < &#248;  &#196;           > 80 F8 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C4201B66C0, 16 bytes long.
 Data: <X&#248;  &#196;           > 58 F8 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C4201B6210, 16 bytes long.
 Data: <0&#248;  &#196;           > 30 F8 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C4201B6350, 16 bytes long.
 Data: < &#248;  &#196;           > 08 F8 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C4201B6620, 16 bytes long.
 Data: <&#224;&#247;  &#196;           > E0 F7 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C4201B5EA0, 16 bytes long.
 Data: <&#184;&#247;  &#196;           > B8 F7 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C4201AFED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001C4201B65D0, 16 bytes long.
 Data: < &#247;  &#196;           > 90 F7 19 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C42019F790, 320 bytes long.
 Data: <&#208;e  &#196;   &#208;&#254;  &#196;   > D0 65 1B 20 C4 01 00 00 D0 FE 1A 20 C4 01 00 00 
{277} normal block at 0x000001C4201B5E50, 16 bytes long.
 Data: < o  &#196;           > 10 6F 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C4201B6990, 16 bytes long.
 Data: <&#232;n  &#196;           > E8 6E 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C4201AFFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001C4201B6490, 16 bytes long.
 Data: <&#192;n  &#196;           > C0 6E 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C4201AFAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001C4201B6580, 16 bytes long.
 Data: < n  &#196;           > 08 6E 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C4201B63A0, 16 bytes long.
 Data: <&#224;m  &#196;           > E0 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C4201B6BC0, 16 bytes long.
 Data: <&#184;m  &#196;           > B8 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C4201B68A0, 16 bytes long.
 Data: < m  &#196;           > 90 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C4201B63F0, 16 bytes long.
 Data: <hm  &#196;           > 68 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C4201B6670, 16 bytes long.
 Data: <@m  &#196;           > 40 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C4201B6A80, 16 bytes long.
 Data: <`R  &#196;           > 60 52 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C4201B5260, 40 bytes long.
 Data: < j  &#196;   &#192;&#183;&#223;!&#196;   > 80 6A 1B 20 C4 01 00 00 C0 B7 DF 21 C4 01 00 00 
{263} normal block at 0x000001C4201B6B70, 16 bytes long.
 Data: < m  &#196;           > 20 6D 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C4201B6A30, 16 bytes long.
 Data: <&#248;l  &#196;           > F8 6C 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C4201AFBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001C4201B6530, 16 bytes long.
 Data: <&#208;l  &#196;           > D0 6C 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C4201B6CD0, 992 bytes long.
 Data: <0e  &#196;   &#208;&#251;  &#196;   > 30 65 1B 20 C4 01 00 00 D0 FB 1A 20 C4 01 00 00 
{95} normal block at 0x000001C4201AF990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001C4201ADF60, 16 bytes long.
 Data: < T  &#196;           > 20 54 1B 20 C4 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C4201B5420, 40 bytes long.
 Data: <`&#223;  &#196;    &#249;  &#196;   > 60 DF 1A 20 C4 01 00 00 90 F9 1A 20 C4 01 00 00 
{72} normal block at 0x000001C4201AE690, 16 bytes long.
 Data: < &#234; &#184;&#246;           > 80 EA 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C4201ADBF0, 16 bytes long.
 Data: <@&#233; &#184;&#246;           > 40 E9 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C4201ADBA0, 16 bytes long.
 Data: <&#248;W&#254;&#183;&#246;           > F8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C4201AE640, 16 bytes long.
 Data: <&#216;W&#254;&#183;&#246;           > D8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C4201AE500, 16 bytes long.
 Data: <P &#254;&#183;&#246;           > 50 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C4201ADA60, 16 bytes long.
 Data: <0 &#254;&#183;&#246;           > 30 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C4201AE2D0, 16 bytes long.
 Data: <&#224; &#254;&#183;&#246;           > E0 02 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C4201AE0F0, 16 bytes long.
 Data: <  &#254;&#183;&#246;           > 10 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C4201AE6E0, 16 bytes long.
 Data: <p &#254;&#183;&#246;           > 70 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C4201AE410, 16 bytes long.
 Data: < &#192;&#252;&#183;&#246;           > 18 C0 FC B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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