Task 38683547

Name test_840-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8755_0
Workunit 31625101
Created 27 Oct 2026, 12:14:13 UTC
Sent 27 Oct 2026, 12:14:19 UTC
Report deadline 1 Nov 2026, 12:14:19 UTC
Received 28 Oct 2026, 15:31:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 41 min 4 sec
CPU time 35 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.79 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:50:43 (26376): wrapper (7.9.26016): starting
10:50:43 (26376): 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
10:50:45 (26376): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:50:45 (26376): 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\16\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\16\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
11:29:21 (26376): C:/Windows/system32/cmd.exe exited; CPU time 2147.218750
11:29:21 (26376): 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: 42512069 bytes.
Dumping objects ->
{3835262} normal block at 0x00000207796E0170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000207796E0D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000207796E0640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000020779694580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000020779694510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000002077B445930, 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) : {3835174} normal block at 0x000002077968F460, 8 bytes long.
 Data: <  &#180;y    > 00 00 B4 79 07 02 00 00 
{3833959} normal block at 0x000002077968EC90, 8 bytes long.
 Data: <PJM{    > 50 4A 4D 7B 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020779690940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002077967EF50, 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 0x0000020779695B60, 16 bytes long.
 Data: < Siy            > 88 53 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020779695660, 16 bytes long.
 Data: <`Siy            > 60 53 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002077968FC90, 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 0x0000020779695BB0, 16 bytes long.
 Data: <8Siy            > 38 53 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020779696290, 16 bytes long.
 Data: < Siy            > 10 53 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020779695ED0, 16 bytes long.
 Data: <&#232;Riy            > E8 52 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020779695A20, 16 bytes long.
 Data: <&#192;Riy            > C0 52 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020779694740, 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 0x0000020779696060, 16 bytes long.
 Data: <&#168;&#250;gy            > A8 FA 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002077968FB70, 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 0x0000020779695D90, 16 bytes long.
 Data: < &#250;gy            > 80 FA 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020779695B10, 16 bytes long.
 Data: <X&#250;gy            > 58 FA 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020779695610, 16 bytes long.
 Data: <0&#250;gy            > 30 FA 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207796955C0, 16 bytes long.
 Data: < &#250;gy            > 08 FA 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020779695520, 16 bytes long.
 Data: <&#224;&#249;gy            > E0 F9 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020779695FC0, 16 bytes long.
 Data: <&#184;&#249;gy            > B8 F9 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207796900B0, 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 0x0000020779695E30, 16 bytes long.
 Data: < &#249;gy            > 90 F9 67 79 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002077967F990, 320 bytes long.
 Data: <0^iy    &#176; iy    > 30 5E 69 79 07 02 00 00 B0 00 69 79 07 02 00 00 
{275} normal block at 0x0000020779695570, 16 bytes long.
 Data: <&#160;Riy            > A0 52 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000207796963D0, 16 bytes long.
 Data: <xRiy            > 78 52 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207796903B0, 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 0x0000020779696380, 16 bytes long.
 Data: <PRiy            > 50 52 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002077968F810, 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 0x0000020779696100, 16 bytes long.
 Data: < Qiy            > 98 51 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020779695930, 16 bytes long.
 Data: <pQiy            > 70 51 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020779695CA0, 16 bytes long.
 Data: <HQiy            > 48 51 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000207796954D0, 16 bytes long.
 Data: < Qiy            > 20 51 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020779696420, 16 bytes long.
 Data: <&#248;Piy            > F8 50 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002077968EBF0, 16 bytes long.
 Data: <&#208;Piy            > D0 50 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002077968EBA0, 16 bytes long.
 Data: <&#192;Jiy            > C0 4A 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020779694AC0, 40 bytes long.
 Data: <&#160;&#235;hy    0YD{    > A0 EB 68 79 07 02 00 00 30 59 44 7B 07 02 00 00 
{261} normal block at 0x000002077968EB50, 16 bytes long.
 Data: <&#176;Piy            > B0 50 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002077968EB00, 16 bytes long.
 Data: < Piy            > 88 50 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002077968FE10, 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 0x000002077968E970, 16 bytes long.
 Data: <`Piy            > 60 50 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020779695060, 992 bytes long.
 Data: <p&#233;hy     &#254;hy    > 70 E9 68 79 07 02 00 00 10 FE 68 79 07 02 00 00 
{93} normal block at 0x000002077968F930, 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 0x000002077968F190, 16 bytes long.
 Data: <PJiy            > 50 4A 69 79 07 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020779694A50, 40 bytes long.
 Data: < &#241;hy    0&#249;hy    > 90 F1 68 79 07 02 00 00 30 F9 68 79 07 02 00 00 
{70} normal block at 0x000002077968E880, 16 bytes long.
 Data: < &#234;&#246;W&#247;           > 80 EA F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002077968EA60, 16 bytes long.
 Data: <@&#233;&#246;W&#247;           > 40 E9 F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002077968E560, 16 bytes long.
 Data: <&#248;W&#243;W&#247;           > F8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002077968F320, 16 bytes long.
 Data: <&#216;W&#243;W&#247;           > D8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002077968F4B0, 16 bytes long.
 Data: <P &#243;W&#247;           > 50 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002077968F050, 16 bytes long.
 Data: <0 &#243;W&#247;           > 30 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002077968ECE0, 16 bytes long.
 Data: <&#224; &#243;W&#247;           > E0 02 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002077968E6A0, 16 bytes long.
 Data: <  &#243;W&#247;           > 10 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002077968E9C0, 16 bytes long.
 Data: <p &#243;W&#247;           > 70 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002077968F000, 16 bytes long.
 Data: < &#192;&#241;W&#247;           > 18 C0 F1 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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