Task 38687634

Name test_154-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5883_0
Workunit 31629018
Created 28 Oct 2026, 8:52:01 UTC
Sent 28 Oct 2026, 8:52:08 UTC
Report deadline 2 Nov 2026, 8:52:08 UTC
Received 28 Oct 2026, 12:35:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 43 min 4 sec
CPU time 1 hours 29 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 659.76 MB
Peak swap size 2.19 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:55:06 (1332): wrapper (7.9.26016): starting
04:55:06 (1332): 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
04:55:10 (1332): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:55:10 (1332): 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\1\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\1\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
06:35:20 (1332): C:/Windows/system32/cmd.exe exited; CPU time 5392.703125
06:35:20 (1332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 65354685 bytes.
Dumping objects ->
{3835251} normal block at 0x0000029164EF6890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000029164EF6350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000029164EF6430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000029164EF6CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000029164EF62E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x0000029164E9B320, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000029163372550, 235 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) : {3835162} normal block at 0x0000029163366B10, 8 bytes long.
 Data: <   e&#145;   > 00 00 00 65 91 02 00 00 
{3834555} normal block at 0x00000291633722F0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000029163365EE0, 8 bytes long.
 Data: <&#208;y&#239;d&#145;   > D0 79 EF 64 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002916336FB40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002916335A560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000029163370BD0, 16 bytes long.
 Data: < 17c&#145;           > 88 31 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029163370D60, 16 bytes long.
 Data: <`17c&#145;           > 60 31 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002916336CEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000029163370C20, 16 bytes long.
 Data: <817c&#145;           > 38 31 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000291633715D0, 16 bytes long.
 Data: < 17c&#145;           > 10 31 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000291633718A0, 16 bytes long.
 Data: <&#232;07c&#145;           > E8 30 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029163371530, 16 bytes long.
 Data: <&#192;07c&#145;           > C0 30 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002916336ACD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000291633714E0, 16 bytes long.
 Data: <&#184;&#189;6c&#145;           > B8 BD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002916336CE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000029163370EA0, 16 bytes long.
 Data: < &#189;6c&#145;           > 90 BD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000291633710D0, 16 bytes long.
 Data: <h&#189;6c&#145;           > 68 BD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029163370E00, 16 bytes long.
 Data: <@&#189;6c&#145;           > 40 BD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029163370B30, 16 bytes long.
 Data: < &#189;6c&#145;           > 18 BD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029163371440, 16 bytes long.
 Data: <&#240;&#188;6c&#145;           > F0 BC 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029163371580, 16 bytes long.
 Data: <&#200;&#188;6c&#145;           > C8 BC 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002916336CC70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000291633713A0, 16 bytes long.
 Data: <&#160;&#188;6c&#145;           > A0 BC 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002916336BCA0, 320 bytes long.
 Data: <&#160; 7c&#145;   p&#204;6c&#145;   > A0 13 37 63 91 02 00 00 70 CC 36 63 91 02 00 00 
{268} normal block at 0x0000029163371030, 16 bytes long.
 Data: <&#160;07c&#145;           > A0 30 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029163371210, 16 bytes long.
 Data: <x07c&#145;           > 78 30 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002916336CDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000029163371350, 16 bytes long.
 Data: <P07c&#145;           > 50 30 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002916336C430, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000291633719E0, 16 bytes long.
 Data: < /7c&#145;           > 98 2F 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029163370D10, 16 bytes long.
 Data: <p/7c&#145;           > 70 2F 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029163370F90, 16 bytes long.
 Data: <H/7c&#145;           > 48 2F 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000291633711C0, 16 bytes long.
 Data: < /7c&#145;           > 20 2F 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029163370FE0, 16 bytes long.
 Data: <&#248;.7c&#145;           > F8 2E 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029163371170, 16 bytes long.
 Data: <&#208;.7c&#145;           > D0 2E 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029163370AE0, 16 bytes long.
 Data: <&#176;&#173;6c&#145;           > B0 AD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002916336ADB0, 40 bytes long.
 Data: <&#224; 7c&#145;    &#179;&#233;d&#145;   > E0 0A 37 63 91 02 00 00 20 B3 E9 64 91 02 00 00 
{254} normal block at 0x0000029163371800, 16 bytes long.
 Data: <&#176;.7c&#145;           > B0 2E 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000029163371300, 16 bytes long.
 Data: < .7c&#145;           > 88 2E 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002916336C730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000291633712B0, 16 bytes long.
 Data: <`.7c&#145;           > 60 2E 37 63 91 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000029163372E60, 992 bytes long.
 Data: <&#176; 7c&#145;   0&#199;6c&#145;   > B0 12 37 63 91 02 00 00 30 C7 36 63 91 02 00 00 
{86} normal block at 0x000002916336C6D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000291633664D0, 16 bytes long.
 Data: <@&#173;6c&#145;           > 40 AD 36 63 91 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002916336AD40, 40 bytes long.
 Data: <&#208;d6c&#145;   &#208;&#198;6c&#145;   > D0 64 36 63 91 02 00 00 D0 C6 36 63 91 02 00 00 
{63} normal block at 0x0000029163365E90, 16 bytes long.
 Data: < &#234;&#163;&#247;&#247;           > 80 EA A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029163365E40, 16 bytes long.
 Data: <@&#233;&#163;&#247;&#247;           > 40 E9 A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029163366750, 16 bytes long.
 Data: <&#248;W&#160;&#247;&#247;           > F8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029163366020, 16 bytes long.
 Data: <&#216;W&#160;&#247;&#247;           > D8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029163366BB0, 16 bytes long.
 Data: <P &#160;&#247;&#247;           > 50 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029163366C50, 16 bytes long.
 Data: <0 &#160;&#247;&#247;           > 30 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029163366480, 16 bytes long.
 Data: <&#224; &#160;&#247;&#247;           > E0 02 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000029163366430, 16 bytes long.
 Data: <  &#160;&#247;&#247;           > 10 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000291633669D0, 16 bytes long.
 Data: <p &#160;&#247;&#247;           > 70 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000291633661B0, 16 bytes long.
 Data: < &#192;&#158;&#247;&#247;           > 18 C0 9E F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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