Task 38684100

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9807_0
Workunit 31625625
Created 27 Oct 2026, 14:42:58 UTC
Sent 27 Oct 2026, 14:43:04 UTC
Report deadline 1 Nov 2026, 14:43:04 UTC
Received 27 Oct 2026, 15:37:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 34 min 5 sec
CPU time 32 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.50 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:55:05 (19136): wrapper (7.9.26016): starting
10:55:05 (19136): 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
10:55:06 (19136): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:55:06 (19136): 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\8\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\8\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
11:27:54 (19136): C:/Windows/system32/cmd.exe exited; CPU time 1945.671875
11:27:54 (19136): 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: 33906153 bytes.
Dumping objects ->
{3835185} normal block at 0x0000021D94B94D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000021D94B94D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000021D94B94BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x0000021D94B94B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000021D94B94A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x0000021D967E8F80, 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) : {3835097} normal block at 0x0000021D94B90740, 8 bytes long.
 Data: <  S&#150;    > 00 00 53 96 1D 02 00 00 
{3833953} normal block at 0x0000021D94B90F60, 8 bytes long.
 Data: < &#234;o&#150;    > 00 EA 6F 96 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021D94B8E6D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021D94B7F330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000021D94B95580, 16 bytes long.
 Data: <&#232;e&#185;&#148;            > E8 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021D94B96160, 16 bytes long.
 Data: <&#192;e&#185;&#148;            > C0 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021D94B901C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000021D94B95620, 16 bytes long.
 Data: < e&#185;&#148;            > 98 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021D94B960C0, 16 bytes long.
 Data: <pe&#185;&#148;            > 70 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D94B95800, 16 bytes long.
 Data: <He&#185;&#148;            > 48 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021D94B95B20, 16 bytes long.
 Data: < e&#185;&#148;            > 20 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021D94B94990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000021D94B95C60, 16 bytes long.
 Data: <(&#226;&#184;&#148;            > 28 E2 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D94B8FD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000021D94B95760, 16 bytes long.
 Data: < &#226;&#184;&#148;            > 00 E2 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021D94B95D50, 16 bytes long.
 Data: <&#216;&#225;&#184;&#148;            > D8 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021D94B957B0, 16 bytes long.
 Data: <&#176;&#225;&#184;&#148;            > B0 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021D94B95C10, 16 bytes long.
 Data: < &#225;&#184;&#148;            > 88 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021D94B96110, 16 bytes long.
 Data: <`&#225;&#184;&#148;            > 60 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D94B95F30, 16 bytes long.
 Data: <8&#225;&#184;&#148;            > 38 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D94B8F320, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000021D94B95D00, 16 bytes long.
 Data: < &#225;&#184;&#148;            > 10 E1 B8 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D94B8E110, 320 bytes long.
 Data: < ]&#185;&#148;     &#243;&#184;&#148;    > 00 5D B9 94 1D 02 00 00 20 F3 B8 94 1D 02 00 00 
{272} normal block at 0x0000021D94B955D0, 16 bytes long.
 Data: < e&#185;&#148;            > 00 65 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D94B953A0, 16 bytes long.
 Data: <&#216;d&#185;&#148;            > D8 64 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021D94B90100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000021D94B95530, 16 bytes long.
 Data: <&#176;d&#185;&#148;            > B0 64 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021D94B8F620, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000021D94B954E0, 16 bytes long.
 Data: <&#248;c&#185;&#148;            > F8 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021D94B95BC0, 16 bytes long.
 Data: <&#208;c&#185;&#148;            > D0 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021D94B95350, 16 bytes long.
 Data: <&#168;c&#185;&#148;            > A8 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D94B95490, 16 bytes long.
 Data: < c&#185;&#148;            > 80 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021D94B95AD0, 16 bytes long.
 Data: <Xc&#185;&#148;            > 58 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D94B958A0, 16 bytes long.
 Data: <0c&#185;&#148;            > 30 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D94B95A80, 16 bytes long.
 Data: <&#208;G&#185;&#148;            > D0 47 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D94B947D0, 40 bytes long.
 Data: < Z&#185;&#148;      ~&#150;    > 80 5A B9 94 1D 02 00 00 80 8F 7E 96 1D 02 00 00 
{258} normal block at 0x0000021D94B95FD0, 16 bytes long.
 Data: < c&#185;&#148;            > 10 63 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021D94B95EE0, 16 bytes long.
 Data: <&#232;b&#185;&#148;            > E8 62 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021D94B8FFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000021D94B95CB0, 16 bytes long.
 Data: <&#192;b&#185;&#148;            > C0 62 B9 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021D94B962C0, 992 bytes long.
 Data: <&#176;\&#185;&#148;    &#224;&#255;&#184;&#148;    > B0 5C B9 94 1D 02 00 00 E0 FF B8 94 1D 02 00 00 
{90} normal block at 0x0000021D94B900A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000021D94B90920, 16 bytes long.
 Data: <&#208;&#215;&#183;&#148;            > D0 D7 B7 94 1D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000021D94B7D7D0, 40 bytes long.
 Data: < 	&#185;&#148;    &#160; &#185;&#148;    > 20 09 B9 94 1D 02 00 00 A0 00 B9 94 1D 02 00 00 
{67} normal block at 0x0000021D94B90470, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021D94B908D0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021D94B90DD0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021D94B906F0, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021D94B90970, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D94B903D0, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D94B90FB0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D94B90380, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D94B909C0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021D94B90F10, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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