Task 38682148

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8877_0
Workunit 31623778
Created 27 Oct 2026, 6:43:47 UTC
Sent 27 Oct 2026, 6:43:55 UTC
Report deadline 1 Nov 2026, 6:43:55 UTC
Received 27 Oct 2026, 7:53:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 22 min 44 sec
CPU time 20 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.90 MB
Peak swap size 19.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:31:18 (21452): wrapper (7.9.26016): starting
08:31:18 (21452): 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
08:31:19 (21452): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:19 (21452): 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\9\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\9\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
08:53:16 (21452): C:/Windows/system32/cmd.exe exited; CPU time 1210.640625
08:53:16 (21452): 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: 23830489 bytes.
Dumping objects ->
{3835248} normal block at 0x0000020D6AE1CEB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000020D68ED4CC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000020D68ED4BE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000020D68ED4B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000020D68ED5190, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000020D6AE67D80, 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) : {3835160} normal block at 0x0000020D68ED0270, 8 bytes long.
 Data: <  gi    > 00 00 67 69 0D 02 00 00 
{3833957} normal block at 0x0000020D68ECFBE0, 8 bytes long.
 Data: < &#215;&#235;h    > 80 D7 EB 68 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020D68ED06F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D68EBE7D0, 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 0x0000020D68ED5990, 16 bytes long.
 Data: <xU&#237;h            > 78 55 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D68ED5A80, 16 bytes long.
 Data: <PU&#237;h            > 50 55 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D68ECEF70, 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 0x0000020D68ED5A30, 16 bytes long.
 Data: <(U&#237;h            > 28 55 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D68ED5E40, 16 bytes long.
 Data: < U&#237;h            > 00 55 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D68ED5710, 16 bytes long.
 Data: <&#216;T&#237;h            > D8 54 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D68ED5B70, 16 bytes long.
 Data: <&#176;T&#237;h            > B0 54 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D68ED4B00, 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 0x0000020D68ED6200, 16 bytes long.
 Data: <&#216;&#228;&#236;h            > D8 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D68ECEDF0, 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 0x0000020D68ED6520, 16 bytes long.
 Data: <&#176;&#228;&#236;h            > B0 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D68ED59E0, 16 bytes long.
 Data: < &#228;&#236;h            > 88 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D68ED57B0, 16 bytes long.
 Data: <`&#228;&#236;h            > 60 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D68ED5AD0, 16 bytes long.
 Data: <8&#228;&#236;h            > 38 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D68ED56C0, 16 bytes long.
 Data: < &#228;&#236;h            > 10 E4 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D68ED6110, 16 bytes long.
 Data: <&#232;&#227;&#236;h            > E8 E3 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D68ECEB50, 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 0x0000020D68ED6570, 16 bytes long.
 Data: <&#192;&#227;&#236;h            > C0 E3 EC 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D68ECE3C0, 320 bytes long.
 Data: <pe&#237;h    P&#235;&#236;h    > 70 65 ED 68 0D 02 00 00 50 EB EC 68 0D 02 00 00 
{274} normal block at 0x0000020D68ED6610, 16 bytes long.
 Data: < T&#237;h            > 90 54 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D68ED5DF0, 16 bytes long.
 Data: <hT&#237;h            > 68 54 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D68ECF450, 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 0x0000020D68ED5940, 16 bytes long.
 Data: <@T&#237;h            > 40 54 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D68ECF2D0, 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 0x0000020D68ED60C0, 16 bytes long.
 Data: < S&#237;h            > 88 53 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D68ED5E90, 16 bytes long.
 Data: <`S&#237;h            > 60 53 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D68ED6020, 16 bytes long.
 Data: <8S&#237;h            > 38 53 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D68ED5B20, 16 bytes long.
 Data: < S&#237;h            > 10 53 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D68ED65C0, 16 bytes long.
 Data: <&#232;R&#237;h            > E8 52 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020D68ECFD70, 16 bytes long.
 Data: <&#192;R&#237;h            > C0 52 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D68ECFC30, 16 bytes long.
 Data: <@P&#237;h            > 40 50 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020D68ED5040, 40 bytes long.
 Data: <0&#252;&#236;h     }&#230;j    > 30 FC EC 68 0D 02 00 00 80 7D E6 6A 0D 02 00 00 
{260} normal block at 0x0000020D68ECFAA0, 16 bytes long.
 Data: <&#160;R&#237;h            > A0 52 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020D68ECFA50, 16 bytes long.
 Data: <xR&#237;h            > 78 52 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020D68ECE970, 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 0x0000020D68ECF7D0, 16 bytes long.
 Data: <PR&#237;h            > 50 52 ED 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020D68ED5250, 992 bytes long.
 Data: <&#208;&#247;&#236;h    p&#233;&#236;h    > D0 F7 EC 68 0D 02 00 00 70 E9 EC 68 0D 02 00 00 
{92} normal block at 0x0000020D68ECE730, 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 0x0000020D68ECFB90, 16 bytes long.
 Data: < &#254;&#235;h            > 00 FE EB 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020D68EBFE00, 40 bytes long.
 Data: < &#251;&#236;h    0&#231;&#236;h    > 90 FB EC 68 0D 02 00 00 30 E7 EC 68 0D 02 00 00 
{69} normal block at 0x0000020D68ED05E0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D68ECFAF0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D68ECF780, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D68ED03B0, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020D68ECFB40, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020D68ECF6E0, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020D68ECF960, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020D68ECFA00, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020D68ECFC80, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020D68ED0220, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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